(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone

C21H21N5O — CID 131654461

IUPAC(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1
InChIInChI=1S/C21H21N5O/c1-14-7-5-12-25(14)20(27)18-13-17-19(26(18)21-22-10-6-11-23-21)15-8-3-4-9-16(15)24(17)2/h3-4,6,8-11,13-14H,5,7,12H2,1-2H3
InChIKeyMZKGJZHHOAAHEJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.54
Rot. Bonds2

About (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone

(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 131654461) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID131654461
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1
InChIInChI=1S/C21H21N5O/c1-14-7-5-12-25(14)20(27)18-13-17-19(26(18)21-22-10-6-11-23-21)15-8-3-4-9-16(15)24(17)2/h3-4,6,8-11,13-14H,5,7,12H2,1-2H3
InChIKeyMZKGJZHHOAAHEJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide
CID 97441841
N,N,4-trimethyl-2-(2-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
CID 131643767
(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 134075238
4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
N-(2,4-difluorophenyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97385191
N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441859
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
[(2R)-2-methylpyrrolidin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 123840614
4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361473
4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone (CID 131654461) is (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1.
What is the InChIKey of (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is MZKGJZHHOAAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-7-5-12-25(14)20(27)18-13-17-19(26(18)21-22-10-6-11-23-21)15-8-3-4-9-16(15)24(17)2/h3-4,6,8-11,13-14H,5,7,12H2,1-2H3.
What are the key properties of (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone?
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 131654461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).