N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C28H34N10O2 — CID 177302995

IUPACN-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)c2c1CCN(c1ncc(-c3nccn3C)cn1)C2
InChIInChI=1S/C28H34N10O2/c1-18(2)38-23-10-12-37(27-31-15-20(16-32-27)25-29-11-13-36(25)5)17-22(23)24(34-38)26(39)30-14-19-6-8-21(9-7-19)33-28(40)35(3)4/h6-9,11,13,15-16,18H,10,12,14,17H2,1-5H3,(H,30,39)(H,33,40)
InChIKeyMBWKSSWYOIMNIU-UHFFFAOYSA-N
MW542.65 g/mol
LogP3.24
Rot. Bonds7

About N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 177302995) has the molecular formula C28H34N10O2 and a molecular weight of 542.65 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID177302995
Molecular FormulaC28H34N10O2
Molecular Weight542.65 g/mol
Exact Mass542.29
IUPAC NameN-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)c2c1CCN(c1ncc(-c3nccn3C)cn1)C2
InChIInChI=1S/C28H34N10O2/c1-18(2)38-23-10-12-37(27-31-15-20(16-32-27)25-29-11-13-36(25)5)17-22(23)24(34-38)26(39)30-14-19-6-8-21(9-7-19)33-28(40)35(3)4/h6-9,11,13,15-16,18H,10,12,14,17H2,1-5H3,(H,30,39)(H,33,40)
InChIKeyMBWKSSWYOIMNIU-UHFFFAOYSA-N
XLogP3.24
TPSA126.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.65
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 177302995) is N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)n1nc(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)c2c1CCN(c1ncc(-c3nccn3C)cn1)C2.
What is the InChIKey of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MBWKSSWYOIMNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N10O2/c1-18(2)38-23-10-12-37(27-31-15-20(16-32-27)25-29-11-13-36(25)5)17-22(23)24(34-38)26(39)30-14-19-6-8-21(9-7-19)33-28(40)35(3)4/h6-9,11,13,15-16,18H,10,12,14,17H2,1-5H3,(H,30,39)(H,33,40).
What are the key properties of N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 542.65 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoylamino)phenyl]methyl]-5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 177302995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).