(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

C18H25N5O — CID 98810910

IUPAC(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)cn1
InChIInChI=1S/C18H25N5O/c1-22-10-14(9-20-22)11-23-12-15-5-4-8-24-18(15)16(13-23)21-17-6-2-3-7-19-17/h2-3,6-7,9-10,15-16,18H,4-5,8,11-13H2,1H3,(H,19,21)/t15-,16+,18-/m0/s1
InChIKeySXMMNVSLQPYFGC-JZXOWHBKSA-N
MW327.43 g/mol
LogP1.91
Rot. Bonds4

About (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (PubChem CID 98810910) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.

Molecular Properties

Compound Name(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
PubChem CID98810910
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)cn1
InChIInChI=1S/C18H25N5O/c1-22-10-14(9-20-22)11-23-12-15-5-4-8-24-18(15)16(13-23)21-17-6-2-3-7-19-17/h2-3,6-7,9-10,15-16,18H,4-5,8,11-13H2,1H3,(H,19,21)/t15-,16+,18-/m0/s1
InChIKeySXMMNVSLQPYFGC-JZXOWHBKSA-N
XLogP1.91
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8R,8aS)-6-methyl-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97387591
(4aS,8R,8aS)-6-(furan-3-ylmethyl)-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 155845195
(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97364499
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
N-[(4aS,8R,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]ethanesulfonamide
CID 97364540
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709
N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
CID 97364568
(3aR,4R,7aS)-2-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 110138515
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
1-benzyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]piperidin-3-amine
CID 128996135
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
N-[(3R,3aS,7aR)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide
CID 133140326

Frequently Asked Questions

What is the IUPAC name of (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The IUPAC name of (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (CID 98810910) is (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.
What is the SMILES notation for (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The canonical SMILES for (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is Cn1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](Nc3ccccn3)C2)cn1.
What is the InChIKey of (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The InChIKey is SXMMNVSLQPYFGC-JZXOWHBKSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-10-14(9-20-22)11-23-12-15-5-4-8-24-18(15)16(13-23)21-17-6-2-3-7-19-17/h2-3,6-7,9-10,15-16,18H,4-5,8,11-13H2,1H3,(H,19,21)/t15-,16+,18-/m0/s1.
What are the key properties of (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
(4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine has a molecular weight of 327.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8R,8aS)-6-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is sourced from PubChem (CID 98810910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).