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

C26H26N8O2 — CID 53328637

IUPAC6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1C1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H26N8O2/c35-26(25-22(30-18-14-27-16-28-15-18)7-6-20(31-25)17-4-5-17)32-24-13-23(21-3-1-2-10-29-21)33-34(24)19-8-11-36-12-9-19/h1-3,6-7,10,13-17,19,30H,4-5,8-9,11-12H2,(H,32,35)
InChIKeyLQKLMOQXOJXQMZ-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.35
Rot. Bonds7

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

6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328637) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328637
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1C1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H26N8O2/c35-26(25-22(30-18-14-27-16-28-15-18)7-6-20(31-25)17-4-5-17)32-24-13-23(21-3-1-2-10-29-21)33-34(24)19-8-11-36-12-9-19/h1-3,6-7,10,13-17,19,30H,4-5,8-9,11-12H2,(H,32,35)
InChIKeyLQKLMOQXOJXQMZ-UHFFFAOYSA-N
XLogP4.35
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.35
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-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328637) is 6-cyclopropyl-N-[1-(oxan-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-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccccn2)nn1C1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is LQKLMOQXOJXQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c35-26(25-22(30-18-14-27-16-28-15-18)7-6-20(31-25)17-4-5-17)32-24-13-23(21-3-1-2-10-29-21)33-34(24)19-8-11-36-12-9-19/h1-3,6-7,10,13-17,19,30H,4-5,8-9,11-12H2,(H,32,35).
What are the key properties of 6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 4.35, 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-(oxan-4-yl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).