(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C19H26N4 — CID 124909668

IUPAC(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1cnc2[nH]c(C3CC3)c(CN3CCN4CCCC[C@H]4C3)c2c1
InChIInChI=1S/C19H26N4/c1-2-9-23-11-10-22(12-15(23)4-1)13-17-16-5-3-8-20-19(16)21-18(17)14-6-7-14/h3,5,8,14-15H,1-2,4,6-7,9-13H2,(H,20,21)/t15-/m0/s1
InChIKeyYDDXBZPYKLEQPH-HNNXBMFYSA-N
MW310.44 g/mol
LogP3.11
Rot. Bonds3

About (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 124909668) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID124909668
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1cnc2[nH]c(C3CC3)c(CN3CCN4CCCC[C@H]4C3)c2c1
InChIInChI=1S/C19H26N4/c1-2-9-23-11-10-22(12-15(23)4-1)13-17-16-5-3-8-20-19(16)21-18(17)14-6-7-14/h3,5,8,14-15H,1-2,4,6-7,9-13H2,(H,20,21)/t15-/m0/s1
InChIKeyYDDXBZPYKLEQPH-HNNXBMFYSA-N
XLogP3.11
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 95853016
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 95854321
(3R)-1-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]piperidin-3-ol
CID 124802857
2,6-dimethyl-4-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]morpholine
CID 110234738
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)pyridin-2-amine
CID 79945516
[4-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 95853360
1-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 110234744
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 51593062
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carboximidamide
CID 79932125
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 59337807

Frequently Asked Questions

What is the IUPAC name of (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 124909668) is (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is c1cnc2[nH]c(C3CC3)c(CN3CCN4CCCC[C@H]4C3)c2c1.
What is the InChIKey of (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is YDDXBZPYKLEQPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-9-23-11-10-22(12-15(23)4-1)13-17-16-5-3-8-20-19(16)21-18(17)14-6-7-14/h3,5,8,14-15H,1-2,4,6-7,9-13H2,(H,20,21)/t15-/m0/s1.
What are the key properties of (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 310.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 124909668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).