N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

C19H28N6 — CID 136905152

IUPACN-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1cc2n(n1)C[C@H](CNC1CCN(Cc3ccncc3)CC1)CN2
InChIInChI=1S/C19H28N6/c1-15-10-19-22-12-17(14-25(19)23-15)11-21-18-4-8-24(9-5-18)13-16-2-6-20-7-3-16/h2-3,6-7,10,17-18,21-22H,4-5,8-9,11-14H2,1H3/t17-/m1/s1
InChIKeyKCCYQMSYPCNNFF-QGZVFWFLSA-N
MW340.48 g/mol
LogP1.88
Rot. Bonds5

About N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine

N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 136905152) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID136905152
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC NameN-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCc1cc2n(n1)C[C@H](CNC1CCN(Cc3ccncc3)CC1)CN2
InChIInChI=1S/C19H28N6/c1-15-10-19-22-12-17(14-25(19)23-15)11-21-18-4-8-24(9-5-18)13-16-2-6-20-7-3-16/h2-3,6-7,10,17-18,21-22H,4-5,8-9,11-14H2,1H3/t17-/m1/s1
InChIKeyKCCYQMSYPCNNFF-QGZVFWFLSA-N
XLogP1.88
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 136716923
(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718074
(3S)-1-benzyl-3-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718077
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
(1S)-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 136817395
(3S)-1-benzyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
(4S)-1-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905220
1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136718045
(4S)-1-methyl-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905221
N-(cyclopropylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-amine
CID 115307348
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine (CID 136905152) is N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is Cc1cc2n(n1)C[C@H](CNC1CCN(Cc3ccncc3)CC1)CN2.
What is the InChIKey of N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is KCCYQMSYPCNNFF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N6/c1-15-10-19-22-12-17(14-25(19)23-15)11-21-18-4-8-24(9-5-18)13-16-2-6-20-7-3-16/h2-3,6-7,10,17-18,21-22H,4-5,8-9,11-14H2,1H3/t17-/m1/s1.
What are the key properties of N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine?
N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 340.48 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 136905152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).