4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine

C26H31N7 — CID 156576918

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESN[C@@H]1CCCN(c2c(C3CC3)cnc3[nH]cc(NCc4cnn(Cc5ccccc5)c4)c23)C1
InChIInChI=1S/C26H31N7/c27-21-7-4-10-32(17-21)25-22(20-8-9-20)13-29-26-24(25)23(14-30-26)28-11-19-12-31-33(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,12-14,16,20-21,28H,4,7-11,15,17,27H2,(H,29,30)/t21-/m1/s1
InChIKeyHTRYGGQFFWFGKM-OAQYLSRUSA-N
MW441.58 g/mol
LogP4.22
Rot. Bonds7

About 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine

4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 156576918) has the molecular formula C26H31N7 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID156576918
Molecular FormulaC26H31N7
Molecular Weight441.58 g/mol
Exact Mass441.26
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESN[C@@H]1CCCN(c2c(C3CC3)cnc3[nH]cc(NCc4cnn(Cc5ccccc5)c4)c23)C1
InChIInChI=1S/C26H31N7/c27-21-7-4-10-32(17-21)25-22(20-8-9-20)13-29-26-24(25)23(14-30-26)28-11-19-12-31-33(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,12-14,16,20-21,28H,4,7-11,15,17,27H2,(H,29,30)/t21-/m1/s1
InChIKeyHTRYGGQFFWFGKM-OAQYLSRUSA-N
XLogP4.22
TPSA87.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide
CID 71677957
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 71679468
(1-benzylpyrazol-4-yl) N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
CID 129110906
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
CID 129110909
4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-amine;1-(pyridin-2-ylmethyl)pyrazole-4-carboxylic acid
CID 172837747
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide;hydrochloride
CID 67045974
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 71678631
[1-(pyridin-3-ylmethyl)pyrazol-4-yl] N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
CID 129110858
4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-amine;1-(pyridin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 172799021
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylcyclopropane-1-carboxamide;hydrochloride
CID 67045549
(1-benzylpyrazol-4-yl) N-[5-bromo-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
CID 129110834
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluoropropanamide;hydrochloride
CID 67045283

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 156576918) is 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine is N[C@@H]1CCCN(c2c(C3CC3)cnc3[nH]cc(NCc4cnn(Cc5ccccc5)c4)c23)C1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is HTRYGGQFFWFGKM-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31N7/c27-21-7-4-10-32(17-21)25-22(20-8-9-20)13-29-26-24(25)23(14-30-26)28-11-19-12-31-33(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,12-14,16,20-21,28H,4,7-11,15,17,27H2,(H,29,30)/t21-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 441.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-N-[(1-benzylpyrazol-4-yl)methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 156576918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).