1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

C23H23N5O2 — CID 57397800

IUPAC1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2CC2CC2)c1
InChIInChI=1S/C23H23N5O2/c1-30-19-4-2-3-16(9-19)11-24-23(29)21-10-17-7-8-20(18-12-25-26-13-18)27-22(17)28(21)14-15-5-6-15/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,24,29)(H,25,26)
InChIKeyDPHAPVAPTOYCQR-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.78
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 57397800) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID57397800
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2CC2CC2)c1
InChIInChI=1S/C23H23N5O2/c1-30-19-4-2-3-16(9-19)11-24-23(29)21-10-17-7-8-20(18-12-25-26-13-18)27-22(17)28(21)14-15-5-6-15/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,24,29)(H,25,26)
InChIKeyDPHAPVAPTOYCQR-UHFFFAOYSA-N
XLogP3.78
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 57397800) is 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is DPHAPVAPTOYCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-30-19-4-2-3-16(9-19)11-24-23(29)21-10-17-7-8-20(18-12-25-26-13-18)27-22(17)28(21)14-15-5-6-15/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 57397800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).