4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide

C21H27N7O3 — CID 150267976

IUPAC4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(CC(O)CO)C(=O)c1nn(C)cc1N1CC(Nc2cncnc2)=CC=C1C1CC1
InChIInChI=1S/C21H27N7O3/c1-26(10-17(30)12-29)21(31)20-19(11-27(2)25-20)28-9-15(5-6-18(28)14-3-4-14)24-16-7-22-13-23-8-16/h5-8,11,13-14,17,24,29-30H,3-4,9-10,12H2,1-2H3
InChIKeyGCYJULDCHLLCHA-UHFFFAOYSA-N
MW425.49 g/mol
LogP0.75
Rot. Bonds8

About 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide

4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 150267976) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide
PubChem CID150267976
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC Name4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(CC(O)CO)C(=O)c1nn(C)cc1N1CC(Nc2cncnc2)=CC=C1C1CC1
InChIInChI=1S/C21H27N7O3/c1-26(10-17(30)12-29)21(31)20-19(11-27(2)25-20)28-9-15(5-6-18(28)14-3-4-14)24-16-7-22-13-23-8-16/h5-8,11,13-14,17,24,29-30H,3-4,9-10,12H2,1-2H3
InChIKeyGCYJULDCHLLCHA-UHFFFAOYSA-N
XLogP0.75
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide (CID 150267976) is 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide is CN(CC(O)CO)C(=O)c1nn(C)cc1N1CC(Nc2cncnc2)=CC=C1C1CC1.
What is the InChIKey of 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GCYJULDCHLLCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-26(10-17(30)12-29)21(31)20-19(11-27(2)25-20)28-9-15(5-6-18(28)14-3-4-14)24-16-7-22-13-23-8-16/h5-8,11,13-14,17,24,29-30H,3-4,9-10,12H2,1-2H3.
What are the key properties of 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide?
4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2H-pyridin-1-yl]-N-(2,3-dihydroxypropyl)-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 150267976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).