6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H20FN9O2 — CID 54759651

IUPAC6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CC(F)C1
InChIInChI=1S/C20H20FN9O2/c1-29-17(20(32)30-8-12(21)9-30)15(7-25-29)28-19(31)16-18(26-13-4-22-10-23-5-13)24-6-14(27-16)11-2-3-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,28,31)
InChIKeyZBTWMJQPJDXQCP-UHFFFAOYSA-N
MW437.44 g/mol
LogP1.67
Rot. Bonds6

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

6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54759651) has the molecular formula C20H20FN9O2 and a molecular weight of 437.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54759651
Molecular FormulaC20H20FN9O2
Molecular Weight437.44 g/mol
Exact Mass437.17
IUPAC Name6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CC(F)C1
InChIInChI=1S/C20H20FN9O2/c1-29-17(20(32)30-8-12(21)9-30)15(7-25-29)28-19(31)16-18(26-13-4-22-10-23-5-13)24-6-14(27-16)11-2-3-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,28,31)
InChIKeyZBTWMJQPJDXQCP-UHFFFAOYSA-N
XLogP1.67
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54759651) is 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CC(F)C1.
What is the InChIKey of 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is ZBTWMJQPJDXQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN9O2/c1-29-17(20(32)30-8-12(21)9-30)15(7-25-29)28-19(31)16-18(26-13-4-22-10-23-5-13)24-6-14(27-16)11-2-3-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,28,31).
What are the key properties of 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54759651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).