N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine

C25H31N5 — CID 138686779

IUPACN-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2ccc3[nH]c(-c4cn(C)c5ncccc45)c(C(C)C)c3n2)CC1
InChIInChI=1S/C25H31N5/c1-15(2)22-23(19-14-30(4)25-18(19)6-5-13-27-25)29-21-12-11-20(28-24(21)22)16-7-9-17(26-3)10-8-16/h5-6,11-17,26,29H,7-10H2,1-4H3
InChIKeyISHWYHJZVCGVGT-UHFFFAOYSA-N
MW401.56 g/mol
LogP5.49
Rot. Bonds4

About N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine

N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine (PubChem CID 138686779) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine
PubChem CID138686779
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC NameN-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2ccc3[nH]c(-c4cn(C)c5ncccc45)c(C(C)C)c3n2)CC1
InChIInChI=1S/C25H31N5/c1-15(2)22-23(19-14-30(4)25-18(19)6-5-13-27-25)29-21-12-11-20(28-24(21)22)16-7-9-17(26-3)10-8-16/h5-6,11-17,26,29H,7-10H2,1-4H3
InChIKeyISHWYHJZVCGVGT-UHFFFAOYSA-N
XLogP5.49
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[4-[2-[1-(2-methylsulfonylethyl)pyrrolo[2,3-b]pyridin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]oxan-4-amine
CID 138686278
3-[4-[2-[1-(isocyanomethyl)pyrrolo[2,3-b]pyridin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-N,N-dimethylpropanamide
CID 148748342
7-methyl-5-[5-[4-(3-methylsulfonylpropyl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]pyrrolo[2,3-d]pyrimidine
CID 153208731
1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
CID 138686638
2-[cyanomethyl-[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]acetonitrile
CID 138687090
4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine
CID 138686809
3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]propanenitrile
CID 138686610
N-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]thiolan-3-amine
CID 155226031
1-methyl-3-[3-propan-2-yl-5-[1-(thian-4-yl)piperidin-4-yl]-1H-indol-2-yl]pyrrolo[2,3-b]pyridine
CID 155796960
2-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142593912
1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
CID 138686305
1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide
CID 138687032

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine (CID 138686779) is N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine is CNC1CCC(c2ccc3[nH]c(-c4cn(C)c5ncccc45)c(C(C)C)c3n2)CC1.
What is the InChIKey of N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?
The InChIKey is ISHWYHJZVCGVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-15(2)22-23(19-14-30(4)25-18(19)6-5-13-27-25)29-21-12-11-20(28-24(21)22)16-7-9-17(26-3)10-8-16/h5-6,11-17,26,29H,7-10H2,1-4H3.
What are the key properties of N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine?
N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine has a molecular weight of 401.56 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 138686779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).