4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine

C60H94N20O — CID 159246599

IUPAC4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
SMILESCN(C)[C@]1(C)CCN(c2ccncc2N)C[C@H]1O.CN1CCCN(c2ccncc2N)CC1.Nc1cnccc1N1CCN2CCC1CC2.Nc1cnccc1N1CCN2CCC[C@@H]2C1.Nc1cnccc1N1CCN2CCC[C@H]2C1
InChIInChI=1S/C13H22N4O.3C12H18N4.C11H18N4/c1-13(16(2)3)5-7-17(9-12(13)18)11-4-6-15-8-10(11)14;13-11-9-14-4-1-12(11)16-8-7-15-5-2-10(16)3-6-15;2*13-11-8-14-4-3-12(11)16-7-6-15-5-1-2-10(15)9-16;1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h4,6,8,12,18H,5,7,9,14H2,1-3H3;1,4,9-10H,2-3,5-8,13H2;2*3-4,8,10H,1-2,5-7,9,13H2;3-4,9H,2,5-8,12H2,1H3/t12-,13-;;2*10-;/m1.10./s1
InChIKeyKUTJDIBTJLAIGW-HQCOSSRFSA-N
MW1111.55 g/mol
LogP4.21
Rot. Bonds6

About 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine

4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine (PubChem CID 159246599) has the molecular formula C60H94N20O and a molecular weight of 1111.55 g/mol. Its IUPAC name is 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
PubChem CID159246599
Molecular FormulaC60H94N20O
Molecular Weight1111.55 g/mol
Exact Mass1110.79
IUPAC Name4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
SMILESCN(C)[C@]1(C)CCN(c2ccncc2N)C[C@H]1O.CN1CCCN(c2ccncc2N)CC1.Nc1cnccc1N1CCN2CCC1CC2.Nc1cnccc1N1CCN2CCC[C@@H]2C1.Nc1cnccc1N1CCN2CCC[C@H]2C1
InChIInChI=1S/C13H22N4O.3C12H18N4.C11H18N4/c1-13(16(2)3)5-7-17(9-12(13)18)11-4-6-15-8-10(11)14;13-11-9-14-4-1-12(11)16-8-7-15-5-2-10(16)3-6-15;2*13-11-8-14-4-3-12(11)16-7-6-15-5-1-2-10(15)9-16;1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h4,6,8,12,18H,5,7,9,14H2,1-3H3;1,4,9-10H,2-3,5-8,13H2;2*3-4,8,10H,1-2,5-7,9,13H2;3-4,9H,2,5-8,12H2,1H3/t12-,13-;;2*10-;/m1.10./s1
InChIKeyKUTJDIBTJLAIGW-HQCOSSRFSA-N
XLogP4.21
TPSA247.18 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.55
LogP ≤ 54.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine with MolForge

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Related Compounds

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940469
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
CID 90205773
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
7-(3-amino-4-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091949
1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol
CID 69047250
4-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine
CID 43585737
[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium
CID 147121078
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol
CID 105066917
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442

Frequently Asked Questions

What is the IUPAC name of 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The IUPAC name of 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine (CID 159246599) is 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine is CN(C)[C@]1(C)CCN(c2ccncc2N)C[C@H]1O.CN1CCCN(c2ccncc2N)CC1.Nc1cnccc1N1CCN2CCC1CC2.Nc1cnccc1N1CCN2CCC[C@@H]2C1.Nc1cnccc1N1CCN2CCC[C@H]2C1.
What is the InChIKey of 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
The InChIKey is KUTJDIBTJLAIGW-HQCOSSRFSA-N. The full InChI is InChI=1S/C13H22N4O.3C12H18N4.C11H18N4/c1-13(16(2)3)5-7-17(9-12(13)18)11-4-6-15-8-10(11)14;13-11-9-14-4-1-12(11)16-8-7-15-5-2-10(16)3-6-15;2*13-11-8-14-4-3-12(11)16-7-6-15-5-1-2-10(15)9-16;1-14-5-2-6-15(8-7-14)11-3-4-13-9-10(11)12/h4,6,8,12,18H,5,7,9,14H2,1-3H3;1,4,9-10H,2-3,5-8,13H2;2*3-4,8,10H,1-2,5-7,9,13H2;3-4,9H,2,5-8,12H2,1H3/t12-,13-;;2*10-;/m1.10./s1.
What are the key properties of 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine?
4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine has a molecular weight of 1111.55 g/mol, XLogP of 4.21, 6 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine;(3R,4R)-1-(3-amino-4-pyridinyl)-4-(dimethylamino)-4-methylpiperidin-3-ol;4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyridin-3-amine;4-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 159246599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).