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

C20H21N9O3 — CID 54760941

IUPAC6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCO1
InChIInChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30)
InChIKeyQTTKVJJYXLZWQW-UHFFFAOYSA-N
MW435.45 g/mol
LogP1.65
Rot. Bonds6

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

6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760941) has the molecular formula C20H21N9O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760941
Molecular FormulaC20H21N9O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCO1
InChIInChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30)
InChIKeyQTTKVJJYXLZWQW-UHFFFAOYSA-N
XLogP1.65
TPSA140.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760941) is 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCO1.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is QTTKVJJYXLZWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30).
What are the key properties of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).