6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H27N9O3 — CID 58548414

IUPAC6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C22H27N9O3/c1-22(2,34)11-30(3)21(33)18-16(10-26-31(18)4)29-20(32)17-19(27-14-7-23-12-24-8-14)25-9-15(28-17)13-5-6-13/h7-10,12-13,34H,5-6,11H2,1-4H3,(H,25,27)(H,29,32)
InChIKeyWDHUDVLRSWBUSD-UHFFFAOYSA-N
MW465.52 g/mol
LogP1.72
Rot. Bonds8

About 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548414) has the molecular formula C22H27N9O3 and a molecular weight of 465.52 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548414
Molecular FormulaC22H27N9O3
Molecular Weight465.52 g/mol
Exact Mass465.22
IUPAC Name6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C22H27N9O3/c1-22(2,34)11-30(3)21(33)18-16(10-26-31(18)4)29-20(32)17-19(27-14-7-23-12-24-8-14)25-9-15(28-17)13-5-6-13/h7-10,12-13,34H,5-6,11H2,1-4H3,(H,25,27)(H,29,32)
InChIKeyWDHUDVLRSWBUSD-UHFFFAOYSA-N
XLogP1.72
TPSA151.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548367
6-cyclopropyl-N-[1-methyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759834
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548326
6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 123768844
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443112
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-methyl-5-[methyl(propan-2-yl)carbamoyl]pyrazol-4-yl]carbamate
CID 130442946
N-[5-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
CID 58548168
[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-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-methyl-5-[methyl(oxetan-3-yl)carbamoyl]pyrazol-4-yl]carbamate
CID 130443179
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide
CID 130458716
N-[4-(azetidine-1-carbonyl)pyrimidin-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548362

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548414) is 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(CC(C)(C)O)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is WDHUDVLRSWBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O3/c1-22(2,34)11-30(3)21(33)18-16(10-26-31(18)4)29-20(32)17-19(27-14-7-23-12-24-8-14)25-9-15(28-17)13-5-6-13/h7-10,12-13,34H,5-6,11H2,1-4H3,(H,25,27)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).