(2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone

C26H31FN6O2 — CID 164921778

IUPAC(2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
SMILESNc1cc(OC2CC2)ccc1C(=O)N1CCC(c2c(F)cnc3nc(C4CCNCC4)[nH]c23)CC1
InChIInChI=1S/C26H31FN6O2/c27-20-14-30-25-23(31-24(32-25)16-5-9-29-10-6-16)22(20)15-7-11-33(12-8-15)26(34)19-4-3-18(13-21(19)28)35-17-1-2-17/h3-4,13-17,29H,1-2,5-12,28H2,(H,30,31,32)
InChIKeyXUORNPABRWICBM-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.71
Rot. Bonds5

About (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone

(2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (PubChem CID 164921778) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
PubChem CID164921778
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name(2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
SMILESNc1cc(OC2CC2)ccc1C(=O)N1CCC(c2c(F)cnc3nc(C4CCNCC4)[nH]c23)CC1
InChIInChI=1S/C26H31FN6O2/c27-20-14-30-25-23(31-24(32-25)16-5-9-29-10-6-16)22(20)15-7-11-33(12-8-15)26(34)19-4-3-18(13-21(19)28)35-17-1-2-17/h3-4,13-17,29H,1-2,5-12,28H2,(H,30,31,32)
InChIKeyXUORNPABRWICBM-UHFFFAOYSA-N
XLogP3.71
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 164921735
(2-amino-4-cyclopropyloxyphenyl)-[4-(5-fluoro-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748925
[2-amino-4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-[6-fluoro-2-[(4R)-oxepan-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 177249384
(2-amino-4-cyclopropyloxyphenyl)-[4-[5-fluoro-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162748949
(2-amino-5-fluoro-4-methylphenyl)-[4-(6-fluoro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 164921803
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 170734145
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 164921651
[2-amino-4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-[6-fluoro-2-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 170734339
1-[4-[7-[1-[2-amino-4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 170734563
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[(3S,8S)-13-fluoro-6,15,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-12-yl]piperidin-1-yl]methanone
CID 177182765
6-fluoro-2-(oxan-4-yl)-7-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
CID 164921669
(4-cyclopropyloxy-2-fluorophenyl)-[4-[5-fluoro-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162748976

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (CID 164921778) is (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is Nc1cc(OC2CC2)ccc1C(=O)N1CCC(c2c(F)cnc3nc(C4CCNCC4)[nH]c23)CC1.
What is the InChIKey of (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The InChIKey is XUORNPABRWICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c27-20-14-30-25-23(31-24(32-25)16-5-9-29-10-6-16)22(20)15-7-11-33(12-8-15)26(34)19-4-3-18(13-21(19)28)35-17-1-2-17/h3-4,13-17,29H,1-2,5-12,28H2,(H,30,31,32).
What are the key properties of (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
(2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone has a molecular weight of 478.57 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-cyclopropyloxyphenyl)-[4-(6-fluoro-2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164921778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).