1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide

C28H30N6O2 — CID 156708734

IUPAC1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2c(C(C)C)noc2c(C)c1CNC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C28H30N6O2/c1-16(2)26-23-9-17(3)24(18(4)27(23)36-32-26)11-29-28(35)21-10-30-34(13-21)15-22-14-33-12-20(19-5-6-19)7-8-25(33)31-22/h7-10,12-14,16,19H,5-6,11,15H2,1-4H3,(H,29,35)
InChIKeyOMIIPXDPALLXIT-UHFFFAOYSA-N
MW482.59 g/mol
LogP5.27
Rot. Bonds7

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide (PubChem CID 156708734) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide
PubChem CID156708734
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2c(C(C)C)noc2c(C)c1CNC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C28H30N6O2/c1-16(2)26-23-9-17(3)24(18(4)27(23)36-32-26)11-29-28(35)21-10-30-34(13-21)15-22-14-33-12-20(19-5-6-19)7-8-25(33)31-22/h7-10,12-14,16,19H,5-6,11,15H2,1-4H3,(H,29,35)
InChIKeyOMIIPXDPALLXIT-UHFFFAOYSA-N
XLogP5.27
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ddr1-IN-6
CID 139030530
1,3-dipropyl-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CID 11466670
1-isobutyl-8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CID 22266742
1-(cyclopropylmethyl)-8-(1-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CID 22266751
3-Ethyl-1-propyl-8-(1-((5-(4-(trifluoromethyl)phenyl) isoxazol-3-yl)methyl)-1h-pyrazol-4-yl)-xanthine
CID 22266769
8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione
CID 22266771
8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 22266775
US11472802, Example 68
CID 139331431
1,3-dipropyl-8-(1-((5-(2-(trifluoromethyl)phenyl)isoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1H-purine-2,6(3H,7H)-dione
CID 44406398
[1-[4-[1-(3-Amino-1,2-benzoxazol-5-yl)-3-carbamoyl-7-fluoroindazol-6-yl]-3-fluorophenyl]imidazol-2-yl]methyl-dimethylazanium
CID 44629562
5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164622143
US10172858, Table 1.11
CID 46195250

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide (CID 156708734) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide is Cc1cc2c(C(C)C)noc2c(C)c1CNC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.
What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is OMIIPXDPALLXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-16(2)26-23-9-17(3)24(18(4)27(23)36-32-26)11-29-28(35)21-10-30-34(13-21)15-22-14-33-12-20(19-5-6-19)7-8-25(33)31-22/h7-10,12-14,16,19H,5-6,11,15H2,1-4H3,(H,29,35).
What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide?
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(5,7-dimethyl-3-propan-2-yl-1,2-benzoxazol-6-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 156708734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).