2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid

C32H35Cl2N7O3 — CID 171498761

IUPAC2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid
SMILESCC(C)n1cnc2c1CCN(c1ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn1)C2
InChIInChI=1S/C32H35Cl2N7O3/c1-20(2)41-19-37-28-18-40(8-5-29(28)41)32-35-15-26(16-36-32)44-30-10-22(17-39-6-3-21(4-7-39)11-31(42)43)9-27(38-30)23-12-24(33)14-25(34)13-23/h9-10,12-16,19-21H,3-8,11,17-18H2,1-2H3,(H,42,43)
InChIKeyCNASHCFCMJSKBY-UHFFFAOYSA-N
MW636.58 g/mol
LogP6.66
Rot. Bonds9

About 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid

2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid (PubChem CID 171498761) has the molecular formula C32H35Cl2N7O3 and a molecular weight of 636.58 g/mol. Its IUPAC name is 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid
PubChem CID171498761
Molecular FormulaC32H35Cl2N7O3
Molecular Weight636.58 g/mol
Exact Mass635.22
IUPAC Name2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid
SMILESCC(C)n1cnc2c1CCN(c1ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn1)C2
InChIInChI=1S/C32H35Cl2N7O3/c1-20(2)41-19-37-28-18-40(8-5-29(28)41)32-35-15-26(16-36-32)44-30-10-22(17-39-6-3-21(4-7-39)11-31(42)43)9-27(38-30)23-12-24(33)14-25(34)13-23/h9-10,12-16,19-21H,3-8,11,17-18H2,1-2H3,(H,42,43)
InChIKeyCNASHCFCMJSKBY-UHFFFAOYSA-N
XLogP6.66
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.58
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid (CID 171498761) is 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid is CC(C)n1cnc2c1CCN(c1ncc(Oc3cc(CN4CCC(CC(=O)O)CC4)cc(-c4cc(Cl)cc(Cl)c4)n3)cn1)C2.
What is the InChIKey of 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid?
The InChIKey is CNASHCFCMJSKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35Cl2N7O3/c1-20(2)41-19-37-28-18-40(8-5-29(28)41)32-35-15-26(16-36-32)44-30-10-22(17-39-6-3-21(4-7-39)11-31(42)43)9-27(38-30)23-12-24(33)14-25(34)13-23/h9-10,12-16,19-21H,3-8,11,17-18H2,1-2H3,(H,42,43).
What are the key properties of 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid?
2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 636.58 g/mol, XLogP of 6.66, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(3,5-dichlorophenyl)-6-[2-(1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-5-yl]oxy-4-pyridinyl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 171498761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).