3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol

C67H72N12O — CID 137391855

IUPAC3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol
SMILESCc1ccc(-c2nc(C)ccc2-c2cnn(CC3CCCC3n3cnc4cc(-c5nc(C)ccc5-c5cnn(CC6CCCC6C(O)CCc6ccc(-c7nc(C)ccc7-c7cnn(CC8CCCC8)c7)cc6)c5)cnc43)c2)cc1
InChIInChI=1S/C67H72N12O/c1-43-15-23-49(24-16-43)64-59(28-18-44(2)73-64)55-34-72-78(41-55)38-52-12-8-14-62(52)79-42-69-61-31-53(32-68-67(61)79)66-60(29-19-46(4)75-66)56-35-71-77(40-56)37-51-11-7-13-57(51)63(80)30-22-47-20-25-50(26-21-47)65-58(27-17-45(3)74-65)54-33-70-76(39-54)36-48-9-5-6-10-48/h15-21,23-29,31-35,39-42,48,51-52,57,62-63,80H,5-14,22,30,36-38H2,1-4H3
InChIKeyWQIIDTJPRZESES-UHFFFAOYSA-N
MW1061.40 g/mol
LogP14.08
Rot. Bonds17

About 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol

3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol (PubChem CID 137391855) has the molecular formula C67H72N12O and a molecular weight of 1061.40 g/mol. Its IUPAC name is 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol
PubChem CID137391855
Molecular FormulaC67H72N12O
Molecular Weight1061.40 g/mol
Exact Mass1060.60
IUPAC Name3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol
SMILESCc1ccc(-c2nc(C)ccc2-c2cnn(CC3CCCC3n3cnc4cc(-c5nc(C)ccc5-c5cnn(CC6CCCC6C(O)CCc6ccc(-c7nc(C)ccc7-c7cnn(CC8CCCC8)c7)cc6)c5)cnc43)c2)cc1
InChIInChI=1S/C67H72N12O/c1-43-15-23-49(24-16-43)64-59(28-18-44(2)73-64)55-34-72-78(41-55)38-52-12-8-14-62(52)79-42-69-61-31-53(32-68-67(61)79)66-60(29-19-46(4)75-66)56-35-71-77(40-56)37-51-11-7-13-57(51)63(80)30-22-47-20-25-50(26-21-47)65-58(27-17-45(3)74-65)54-33-70-76(39-54)36-48-9-5-6-10-48/h15-21,23-29,31-35,39-42,48,51-52,57,62-63,80H,5-14,22,30,36-38H2,1-4H3
InChIKeyWQIIDTJPRZESES-UHFFFAOYSA-N
XLogP14.08
TPSA143.07 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.40
LogP ≤ 514.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol?
The IUPAC name of 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol (CID 137391855) is 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol.
What is the SMILES notation for 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol?
The canonical SMILES for 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol is Cc1ccc(-c2nc(C)ccc2-c2cnn(CC3CCCC3n3cnc4cc(-c5nc(C)ccc5-c5cnn(CC6CCCC6C(O)CCc6ccc(-c7nc(C)ccc7-c7cnn(CC8CCCC8)c7)cc6)c5)cnc43)c2)cc1.
What is the InChIKey of 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol?
The InChIKey is WQIIDTJPRZESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H72N12O/c1-43-15-23-49(24-16-43)64-59(28-18-44(2)73-64)55-34-72-78(41-55)38-52-12-8-14-62(52)79-42-69-61-31-53(32-68-67(61)79)66-60(29-19-46(4)75-66)56-35-71-77(40-56)37-51-11-7-13-57(51)63(80)30-22-47-20-25-50(26-21-47)65-58(27-17-45(3)74-65)54-33-70-76(39-54)36-48-9-5-6-10-48/h15-21,23-29,31-35,39-42,48,51-52,57,62-63,80H,5-14,22,30,36-38H2,1-4H3.
What are the key properties of 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol?
3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol has a molecular weight of 1061.40 g/mol, XLogP of 14.08, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]phenyl]-1-[2-[[4-[6-methyl-2-[3-[2-[[4-[6-methyl-2-(4-methylphenyl)-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]imidazo[4,5-b]pyridin-6-yl]-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]propan-1-ol is sourced from PubChem (CID 137391855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).