5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide

C27H25FN10O2 — CID 135256622

IUPAC5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide
SMILESCCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NCc4cnc(-c5ccc(OC)nc5)cn4)c(F)c3)n2)n[nH]1
InChIInChI=1S/C27H25FN10O2/c1-4-18-9-23(38-37-18)35-22-7-15(2)34-26(36-22)17-8-20(28)25(32-11-17)27(39)33-13-19-12-30-21(14-29-19)16-5-6-24(40-3)31-10-16/h5-12,14H,4,13H2,1-3H3,(H,33,39)(H2,34,35,36,37,38)
InChIKeyDNUXOVPRLGKJAP-UHFFFAOYSA-N
MW540.56 g/mol
LogP3.81
Rot. Bonds9

About 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide

5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 135256622) has the molecular formula C27H25FN10O2 and a molecular weight of 540.56 g/mol. Its IUPAC name is 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide
PubChem CID135256622
Molecular FormulaC27H25FN10O2
Molecular Weight540.56 g/mol
Exact Mass540.21
IUPAC Name5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide
SMILESCCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NCc4cnc(-c5ccc(OC)nc5)cn4)c(F)c3)n2)n[nH]1
InChIInChI=1S/C27H25FN10O2/c1-4-18-9-23(38-37-18)35-22-7-15(2)34-26(36-22)17-8-20(28)25(32-11-17)27(39)33-13-19-12-30-21(14-29-19)16-5-6-24(40-3)31-10-16/h5-12,14H,4,13H2,1-3H3,(H,33,39)(H2,34,35,36,37,38)
InChIKeyDNUXOVPRLGKJAP-UHFFFAOYSA-N
XLogP3.81
TPSA156.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.56
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide (CID 135256622) is 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide is CCc1cc(Nc2cc(C)nc(-c3cnc(C(=O)NCc4cnc(-c5ccc(OC)nc5)cn4)c(F)c3)n2)n[nH]1.
What is the InChIKey of 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is DNUXOVPRLGKJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN10O2/c1-4-18-9-23(38-37-18)35-22-7-15(2)34-26(36-22)17-8-20(28)25(32-11-17)27(39)33-13-19-12-30-21(14-29-19)16-5-6-24(40-3)31-10-16/h5-12,14H,4,13H2,1-3H3,(H,33,39)(H2,34,35,36,37,38).
What are the key properties of 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?
5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 540.56 g/mol, XLogP of 3.81, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[5-(6-methoxy-3-pyridinyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).