N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide

C23H22FN7O — CID 90383217

IUPACN-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide
SMILESCc1cncc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4cccc(F)c4)nc3C2)n1
InChIInChI=1S/C23H22FN7O/c1-14-10-25-12-19(27-14)18-11-26-30(2)22(18)23(32)28-17-6-7-31-13-20(29-21(31)9-17)15-4-3-5-16(24)8-15/h3-5,8,10-13,17H,6-7,9H2,1-2H3,(H,28,32)
InChIKeyBCWPAPBMQZJDGS-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide

N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide (PubChem CID 90383217) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide
PubChem CID90383217
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC NameN-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide
SMILESCc1cncc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4cccc(F)c4)nc3C2)n1
InChIInChI=1S/C23H22FN7O/c1-14-10-25-12-19(27-14)18-11-26-30(2)22(18)23(32)28-17-6-7-31-13-20(29-21(31)9-17)15-4-3-5-16(24)8-15/h3-5,8,10-13,17H,6-7,9H2,1-2H3,(H,28,32)
InChIKeyBCWPAPBMQZJDGS-UHFFFAOYSA-N
XLogP2.93
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide (CID 90383217) is N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide is Cc1cncc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4cccc(F)c4)nc3C2)n1.
What is the InChIKey of N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide?
The InChIKey is BCWPAPBMQZJDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-14-10-25-12-19(27-14)18-11-26-30(2)22(18)23(32)28-17-6-7-31-13-20(29-21(31)9-17)15-4-3-5-16(24)8-15/h3-5,8,10-13,17H,6-7,9H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide?
N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).