N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C19H17N5O — CID 97441846

IUPACN-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NC1CC1)n2-c1ncccn1
InChIInChI=1S/C19H17N5O/c1-23-14-6-3-2-5-13(14)17-15(23)11-16(18(25)22-12-7-8-12)24(17)19-20-9-4-10-21-19/h2-6,9-12H,7-8H2,1H3,(H,22,25)
InChIKeyWCYGKVFVHMZZNO-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.80
Rot. Bonds3

About N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441846) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441846
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NC1CC1)n2-c1ncccn1
InChIInChI=1S/C19H17N5O/c1-23-14-6-3-2-5-13(14)17-15(23)11-16(18(25)22-12-7-8-12)24(17)19-20-9-4-10-21-19/h2-6,9-12H,7-8H2,1H3,(H,22,25)
InChIKeyWCYGKVFVHMZZNO-UHFFFAOYSA-N
XLogP2.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 131654461
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
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155829058
4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469
4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361473
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
4-(cyclopropylmethyl)-1-pyrimidin-2-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155857389
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441976
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97441846) is N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is Cn1c2ccccc2c2c1cc(C(=O)NC1CC1)n2-c1ncccn1.
What is the InChIKey of N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is WCYGKVFVHMZZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-23-14-6-3-2-5-13(14)17-15(23)11-16(18(25)22-12-7-8-12)24(17)19-20-9-4-10-21-19/h2-6,9-12H,7-8H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).