2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile

C15H19N5 — CID 165155702

IUPAC2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile
SMILESN#CCC1CCC(Nc2c(N)cnc3[nH]ccc23)CC1
InChIInChI=1S/C15H19N5/c16-7-5-10-1-3-11(4-2-10)20-14-12-6-8-18-15(12)19-9-13(14)17/h6,8-11H,1-5,17H2,(H2,18,19,20)
InChIKeyKLXNTJGNZWHYDN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile

2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile (PubChem CID 165155702) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile
PubChem CID165155702
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile
SMILESN#CCC1CCC(Nc2c(N)cnc3[nH]ccc23)CC1
InChIInChI=1S/C15H19N5/c16-7-5-10-1-3-11(4-2-10)20-14-12-6-8-18-15(12)19-9-13(14)17/h6,8-11H,1-5,17H2,(H2,18,19,20)
InChIKeyKLXNTJGNZWHYDN-UHFFFAOYSA-N
XLogP3.03
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]acetonitrile
CID 89239826
2-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)cyclohexyl]acetonitrile
CID 163362976
4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277273
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172
ethyl 4-[[(1S,3S)-3-(2-cyanoethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138595375
cyclopropylmethyl 4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624650
4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291978
3-[4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl]propanenitrile
CID 86717433
ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624764
4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277160
2-[4-[4-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile
CID 146212959
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile (CID 165155702) is 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile is N#CCC1CCC(Nc2c(N)cnc3[nH]ccc23)CC1.
What is the InChIKey of 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile?
The InChIKey is KLXNTJGNZWHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-7-5-10-1-3-11(4-2-10)20-14-12-6-8-18-15(12)19-9-13(14)17/h6,8-11H,1-5,17H2,(H2,18,19,20).
What are the key properties of 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile?
2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexyl]acetonitrile is sourced from PubChem (CID 165155702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).