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

C26H30N6O2 — CID 57399463

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2C)c1
InChIInChI=1S/C26H30N6O2/c1-30-24(15-20-8-9-23(29-25(20)30)21-16-27-28-17-21)26(33)32(13-12-31-10-3-4-11-31)18-19-6-5-7-22(14-19)34-2/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,27,28)
InChIKeyWITCFZVNIUSGEN-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.71
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 57399463) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID57399463
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2C)c1
InChIInChI=1S/C26H30N6O2/c1-30-24(15-20-8-9-23(29-25(20)30)21-16-27-28-17-21)26(33)32(13-12-31-10-3-4-11-31)18-19-6-5-7-22(14-19)34-2/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,27,28)
InChIKeyWITCFZVNIUSGEN-UHFFFAOYSA-N
XLogP3.71
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 57399463) is N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is WITCFZVNIUSGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-30-24(15-20-8-9-23(29-25(20)30)21-16-27-28-17-21)26(33)32(13-12-31-10-3-4-11-31)18-19-6-5-7-22(14-19)34-2/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,27,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 57399463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).