N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide

C19H22N10O2 — CID 58548144

IUPACN-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H22N10O2/c1-20-19(31)16-13(9-24-28(16)2)26-18(30)15-17(25-12-7-21-11-22-8-12)23-10-14(27-15)29-5-3-4-6-29/h7-11H,3-6H2,1-2H3,(H,20,31)(H,23,25)(H,26,30)
InChIKeyDIIWVZLHCJFWQU-UHFFFAOYSA-N
MW422.45 g/mol
LogP0.96
Rot. Bonds6

About N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide

N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide (PubChem CID 58548144) has the molecular formula C19H22N10O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide
PubChem CID58548144
Molecular FormulaC19H22N10O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC NameN-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C19H22N10O2/c1-20-19(31)16-13(9-24-28(16)2)26-18(30)15-17(25-12-7-21-11-22-8-12)23-10-14(27-15)29-5-3-4-6-29/h7-11H,3-6H2,1-2H3,(H,20,31)(H,23,25)(H,26,30)
InChIKeyDIIWVZLHCJFWQU-UHFFFAOYSA-N
XLogP0.96
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide (CID 58548144) is N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(N3CCCC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
The InChIKey is DIIWVZLHCJFWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10O2/c1-20-19(31)16-13(9-24-28(16)2)26-18(30)15-17(25-12-7-21-11-22-8-12)23-10-14(27-15)29-5-3-4-6-29/h7-11H,3-6H2,1-2H3,(H,20,31)(H,23,25)(H,26,30).
What are the key properties of N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide?
N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-pyrrolidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 58548144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).