5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide

C32H34N10O2 — CID 59173379

IUPAC5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(C)c(Nc3cc(C)nn3-c3cc(Nc4ccc(CN5CCOCC5)cn4)ncn3)c2)c1
InChIInChI=1S/C32H34N10O2/c1-21-12-25(18-33-16-21)32(43)37-26-6-4-22(2)27(14-26)38-31-13-23(3)40-42(31)30-15-29(35-20-36-30)39-28-7-5-24(17-34-28)19-41-8-10-44-11-9-41/h4-7,12-18,20,38H,8-11,19H2,1-3H3,(H,37,43)(H,34,35,36,39)
InChIKeyLIGVPXYBCSFKMA-UHFFFAOYSA-N
MW590.69 g/mol
LogP4.95
Rot. Bonds9

About 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide

5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 59173379) has the molecular formula C32H34N10O2 and a molecular weight of 590.69 g/mol. Its IUPAC name is 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide
PubChem CID59173379
Molecular FormulaC32H34N10O2
Molecular Weight590.69 g/mol
Exact Mass590.29
IUPAC Name5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2ccc(C)c(Nc3cc(C)nn3-c3cc(Nc4ccc(CN5CCOCC5)cn4)ncn3)c2)c1
InChIInChI=1S/C32H34N10O2/c1-21-12-25(18-33-16-21)32(43)37-26-6-4-22(2)27(14-26)38-31-13-23(3)40-42(31)30-15-29(35-20-36-30)39-28-7-5-24(17-34-28)19-41-8-10-44-11-9-41/h4-7,12-18,20,38H,8-11,19H2,1-3H3,(H,37,43)(H,34,35,36,39)
InChIKeyLIGVPXYBCSFKMA-UHFFFAOYSA-N
XLogP4.95
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide (CID 59173379) is 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2ccc(C)c(Nc3cc(C)nn3-c3cc(Nc4ccc(CN5CCOCC5)cn4)ncn3)c2)c1.
What is the InChIKey of 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is LIGVPXYBCSFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N10O2/c1-21-12-25(18-33-16-21)32(43)37-26-6-4-22(2)27(14-26)38-31-13-23(3)40-42(31)30-15-29(35-20-36-30)39-28-7-5-24(17-34-28)19-41-8-10-44-11-9-41/h4-7,12-18,20,38H,8-11,19H2,1-3H3,(H,37,43)(H,34,35,36,39).
What are the key properties of 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide?
5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 590.69 g/mol, XLogP of 4.95, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-methyl-3-[[5-methyl-2-[6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59173379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).