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

C27H29N9O — CID 53329529

IUPAC6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN1CCC(n2nc(-c3ccccn3)cc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)CC1
InChIInChI=1S/C27H29N9O/c1-35-12-9-20(10-13-35)36-25(14-24(34-36)22-4-2-3-11-30-22)33-27(37)26-23(31-19-15-28-17-29-16-19)8-7-21(32-26)18-5-6-18/h2-4,7-8,11,14-18,20,31H,5-6,9-10,12-13H2,1H3,(H,33,37)
InChIKeyWOKDRTGLKOCXLJ-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.27
Rot. Bonds7

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

6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329529) has the molecular formula C27H29N9O and a molecular weight of 495.59 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329529
Molecular FormulaC27H29N9O
Molecular Weight495.59 g/mol
Exact Mass495.25
IUPAC Name6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN1CCC(n2nc(-c3ccccn3)cc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)CC1
InChIInChI=1S/C27H29N9O/c1-35-12-9-20(10-13-35)36-25(14-24(34-36)22-4-2-3-11-30-22)33-27(37)26-23(31-19-15-28-17-29-16-19)8-7-21(32-26)18-5-6-18/h2-4,7-8,11,14-18,20,31H,5-6,9-10,12-13H2,1H3,(H,33,37)
InChIKeyWOKDRTGLKOCXLJ-UHFFFAOYSA-N
XLogP4.27
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329529) is 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CN1CCC(n2nc(-c3ccccn3)cc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)CC1.
What is the InChIKey of 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is WOKDRTGLKOCXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O/c1-35-12-9-20(10-13-35)36-25(14-24(34-36)22-4-2-3-11-30-22)33-27(37)26-23(31-19-15-28-17-29-16-19)8-7-21(32-26)18-5-6-18/h2-4,7-8,11,14-18,20,31H,5-6,9-10,12-13H2,1H3,(H,33,37).
What are the key properties of 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).