2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide

C22H27N5O — CID 156697186

IUPAC2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide
SMILESCC(C)C(=O)Nc1cnc2[nH]c(-c3ccc(N4CCN(C)CC4)cc3)cc2c1
InChIInChI=1S/C22H27N5O/c1-15(2)22(28)24-18-12-17-13-20(25-21(17)23-14-18)16-4-6-19(7-5-16)27-10-8-26(3)9-11-27/h4-7,12-15H,8-11H2,1-3H3,(H,23,25)(H,24,28)
InChIKeyBSTSHXAJYAKCSH-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.58
Rot. Bonds4

About 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide

2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide (PubChem CID 156697186) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide
PubChem CID156697186
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide
SMILESCC(C)C(=O)Nc1cnc2[nH]c(-c3ccc(N4CCN(C)CC4)cc3)cc2c1
InChIInChI=1S/C22H27N5O/c1-15(2)22(28)24-18-12-17-13-20(25-21(17)23-14-18)16-4-6-19(7-5-16)27-10-8-26(3)9-11-27/h4-7,12-15H,8-11H2,1-3H3,(H,23,25)(H,24,28)
InChIKeyBSTSHXAJYAKCSH-UHFFFAOYSA-N
XLogP3.58
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 150957046
N-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide
CID 142410466
2-methyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137111940
N-[3-[[5-fluoro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide
CID 142410514
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(1H-pyrrol-2-yl)phenyl]urea
CID 141420973
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
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CID 164938183
4,5-dimethyl-N-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302620
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CID 123868226
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxypropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide (CID 156697186) is 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide is CC(C)C(=O)Nc1cnc2[nH]c(-c3ccc(N4CCN(C)CC4)cc3)cc2c1.
What is the InChIKey of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide?
The InChIKey is BSTSHXAJYAKCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)22(28)24-18-12-17-13-20(25-21(17)23-14-18)16-4-6-19(7-5-16)27-10-8-26(3)9-11-27/h4-7,12-15H,8-11H2,1-3H3,(H,23,25)(H,24,28).
What are the key properties of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide?
2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]propanamide is sourced from PubChem (CID 156697186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).