N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide

C30H28FN9O — CID 121258736

IUPACN-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(C5Nc6cncc(-c7cccc(F)c7)c6N5)c4c3)c2)CC1
InChIInChI=1S/C30H28FN9O/c1-40-7-5-17(6-8-40)30(41)35-22-10-19(12-32-14-22)20-11-23-27(38-39-28(23)34-13-20)29-36-25-16-33-15-24(26(25)37-29)18-3-2-4-21(31)9-18/h2-4,9-17,29,36-37H,5-8H2,1H3,(H,35,41)(H,34,38,39)
InChIKeyREKFLOAIANZUSQ-UHFFFAOYSA-N
MW549.61 g/mol
LogP5.04
Rot. Bonds5

About N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide

N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide (PubChem CID 121258736) has the molecular formula C30H28FN9O and a molecular weight of 549.61 g/mol. Its IUPAC name is N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
PubChem CID121258736
Molecular FormulaC30H28FN9O
Molecular Weight549.61 g/mol
Exact Mass549.24
IUPAC NameN-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(C5Nc6cncc(-c7cccc(F)c7)c6N5)c4c3)c2)CC1
InChIInChI=1S/C30H28FN9O/c1-40-7-5-17(6-8-40)30(41)35-22-10-19(12-32-14-22)20-11-23-27(38-39-28(23)34-13-20)29-36-25-16-33-15-24(26(25)37-29)18-3-2-4-21(31)9-18/h2-4,9-17,29,36-37H,5-8H2,1H3,(H,35,41)(H,34,38,39)
InChIKeyREKFLOAIANZUSQ-UHFFFAOYSA-N
XLogP5.04
TPSA123.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.61
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide (CID 121258736) is N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(C5Nc6cncc(-c7cccc(F)c7)c6N5)c4c3)c2)CC1.
What is the InChIKey of N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is REKFLOAIANZUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN9O/c1-40-7-5-17(6-8-40)30(41)35-22-10-19(12-32-14-22)20-11-23-27(38-39-28(23)34-13-20)29-36-25-16-33-15-24(26(25)37-29)18-3-2-4-21(31)9-18/h2-4,9-17,29,36-37H,5-8H2,1H3,(H,35,41)(H,34,38,39).
What are the key properties of N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?
N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 549.61 g/mol, XLogP of 5.04, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(3-fluorophenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 121258736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).