6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C24H23N9O2 — CID 58548343

IUPAC6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N9O2/c1-32(2)24(35)22-19(13-33(31-22)20-5-3-4-10-27-20)30-23(34)21-18(28-16-11-25-14-26-12-16)9-8-17(29-21)15-6-7-15/h3-5,8-15,28H,6-7H2,1-2H3,(H,30,34)
InChIKeyODCMPYLMVKVVJA-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.03
Rot. Bonds7

About 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548343) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548343
Molecular FormulaC24H23N9O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H23N9O2/c1-32(2)24(35)22-19(13-33(31-22)20-5-3-4-10-27-20)30-23(34)21-18(28-16-11-25-14-26-12-16)9-8-17(29-21)15-6-7-15/h3-5,8-15,28H,6-7H2,1-2H3,(H,30,34)
InChIKeyODCMPYLMVKVVJA-UHFFFAOYSA-N
XLogP3.03
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548343) is 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CN(C)C(=O)c1nn(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is ODCMPYLMVKVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2/c1-32(2)24(35)22-19(13-33(31-22)20-5-3-4-10-27-20)30-23(34)21-18(28-16-11-25-14-26-12-16)9-8-17(29-21)15-6-7-15/h3-5,8-15,28H,6-7H2,1-2H3,(H,30,34).
What are the key properties of 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).