4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide

C22H26N10O — CID 70650578

IUPAC4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(NC(=C2CC2)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C22H26N10O/c1-23-22(33)20-16(11-27-31(20)2)29-18(14-5-6-14)19-21(28-15-9-24-13-25-10-15)26-12-17(30-19)32-7-3-4-8-32/h9-13,29H,3-8H2,1-2H3,(H,23,33)(H,26,28)
InChIKeyFICGGLWCRNQCIV-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.32
Rot. Bonds7

About 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide

4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 70650578) has the molecular formula C22H26N10O and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide
PubChem CID70650578
Molecular FormulaC22H26N10O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1c(NC(=C2CC2)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C22H26N10O/c1-23-22(33)20-16(11-27-31(20)2)29-18(14-5-6-14)19-21(28-15-9-24-13-25-10-15)26-12-17(30-19)32-7-3-4-8-32/h9-13,29H,3-8H2,1-2H3,(H,23,33)(H,26,28)
InChIKeyFICGGLWCRNQCIV-UHFFFAOYSA-N
XLogP2.32
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 54761816
4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide
CID 130458716
6-cyclopropyl-N-[1-methyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759834
[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443150
6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548414
6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548367
6-acetyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid;6-(1-hydroxyethyl)-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 158642151
N-[5-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
CID 58548168
5-bromo-2-(2-hydroxypropan-2-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrimidine-4-carboxamide;5-bromo-2-(2-hydroxypropan-2-yl)pyrimidine-4-carboxylic acid
CID 159941340
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[(2-methoxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443099
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760024

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide (CID 70650578) is 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1c(NC(=C2CC2)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is FICGGLWCRNQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10O/c1-23-22(33)20-16(11-27-31(20)2)29-18(14-5-6-14)19-21(28-15-9-24-13-25-10-15)26-12-17(30-19)32-7-3-4-8-32/h9-13,29H,3-8H2,1-2H3,(H,23,33)(H,26,28).
What are the key properties of 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide?
4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylidene-[3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazin-2-yl]methyl]amino]-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 70650578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).