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

C22H25N9O2 — CID 54760197

IUPAC6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C22H25N9O2/c1-30-19(22(33)31-7-3-2-4-8-31)17(12-26-30)29-21(32)18-20(27-15-9-23-13-24-10-15)25-11-16(28-18)14-5-6-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,32)
InChIKeyGXXLARHKQZETET-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.50
Rot. Bonds6

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

6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760197) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760197
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C22H25N9O2/c1-30-19(22(33)31-7-3-2-4-8-31)17(12-26-30)29-21(32)18-20(27-15-9-23-13-24-10-15)25-11-16(28-18)14-5-6-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,32)
InChIKeyGXXLARHKQZETET-UHFFFAOYSA-N
XLogP2.50
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.50
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-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760197) is 6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCCC1.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GXXLARHKQZETET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-30-19(22(33)31-7-3-2-4-8-31)17(12-26-30)29-21(32)18-20(27-15-9-23-13-24-10-15)25-11-16(28-18)14-5-6-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.50, 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-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).