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

C22H21N5O2 — CID 52934381

IUPACN-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)C2CC2)c1
InChIInChI=1S/C22H21N5O2/c1-29-18-4-2-3-14(9-18)13-27(17-6-7-17)22(28)20-10-15-5-8-19(25-21(15)26-20)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyDFEBLGYTZYBLCJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.77
Rot. Bonds6

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

N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 52934381) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID52934381
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)C2CC2)c1
InChIInChI=1S/C22H21N5O2/c1-29-18-4-2-3-14(9-18)13-27(17-6-7-17)22(28)20-10-15-5-8-19(25-21(15)26-20)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyDFEBLGYTZYBLCJ-UHFFFAOYSA-N
XLogP3.77
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 52934381) is N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COc1cccc(CN(C(=O)c2cc3ccc(-c4cn[nH]c4)nc3[nH]2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is DFEBLGYTZYBLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-29-18-4-2-3-14(9-18)13-27(17-6-7-17)22(28)20-10-15-5-8-19(25-21(15)26-20)16-11-23-24-12-16/h2-5,8-12,17H,6-7,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 52934381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).