6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H24N8O3 — CID 58548261

IUPAC6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCOCC2)n1
InChIInChI=1S/C22H24N8O3/c1-29-12-18(20(28-29)22(32)30-6-8-33-9-7-30)27-21(31)19-17(25-15-10-23-13-24-11-15)5-4-16(26-19)14-2-3-14/h4-5,10-14,25H,2-3,6-9H2,1H3,(H,27,31)
InChIKeyOTIWSYCNMISZNJ-UHFFFAOYSA-N
MW448.49 g/mol
LogP1.95
Rot. Bonds6

About 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548261) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548261
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCOCC2)n1
InChIInChI=1S/C22H24N8O3/c1-29-12-18(20(28-29)22(32)30-6-8-33-9-7-30)27-21(31)19-17(25-15-10-23-13-24-11-15)5-4-16(26-19)14-2-3-14/h4-5,10-14,25H,2-3,6-9H2,1H3,(H,27,31)
InChIKeyOTIWSYCNMISZNJ-UHFFFAOYSA-N
XLogP1.95
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 51.95
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-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548261) is 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCOCC2)n1.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is OTIWSYCNMISZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-29-12-18(20(28-29)22(32)30-6-8-33-9-7-30)27-21(31)19-17(25-15-10-23-13-24-11-15)5-4-16(26-19)14-2-3-14/h4-5,10-14,25H,2-3,6-9H2,1H3,(H,27,31).
What are the key properties of 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).