(Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine

C21H20F2N8 — CID 145037089

IUPAC(Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine
SMILESC=C(/C=N\N)c1ccc2[nH]nc(-c3nc4nccc(N5CCC(F)(F)CC5)c4[nH]3)c2c1
InChIInChI=1S/C21H20F2N8/c1-12(11-26-24)13-2-3-15-14(10-13)17(30-29-15)20-27-18-16(4-7-25-19(18)28-20)31-8-5-21(22,23)6-9-31/h2-4,7,10-11H,1,5-6,8-9,24H2,(H,29,30)(H,25,27,28)/b26-11-
InChIKeyMMDULNJXNBRPIR-RAWMCFOBSA-N
MW422.44 g/mol
LogP3.69
Rot. Bonds4

About (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine

(Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine (PubChem CID 145037089) has the molecular formula C21H20F2N8 and a molecular weight of 422.44 g/mol. Its IUPAC name is (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine.

Molecular Properties

Compound Name(Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine
PubChem CID145037089
Molecular FormulaC21H20F2N8
Molecular Weight422.44 g/mol
Exact Mass422.18
IUPAC Name(Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine
SMILESC=C(/C=N\N)c1ccc2[nH]nc(-c3nc4nccc(N5CCC(F)(F)CC5)c4[nH]3)c2c1
InChIInChI=1S/C21H20F2N8/c1-12(11-26-24)13-2-3-15-14(10-13)17(30-29-15)20-27-18-16(4-7-25-19(18)28-20)31-8-5-21(22,23)6-9-31/h2-4,7,10-11H,1,5-6,8-9,24H2,(H,29,30)(H,25,27,28)/b26-11-
InChIKeyMMDULNJXNBRPIR-RAWMCFOBSA-N
XLogP3.69
TPSA111.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 137135670
7-piperidin-1-yl-2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 136938051
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 136937844
4-[2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 136937550
2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 136938039
N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137134001
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137014616
5-[6-fluoro-3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134829
N-[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137134013
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137134050
N-[5-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137134048
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 137133950

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine?
The IUPAC name of (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine (CID 145037089) is (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine.
What is the SMILES notation for (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine?
The canonical SMILES for (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine is C=C(/C=N\N)c1ccc2[nH]nc(-c3nc4nccc(N5CCC(F)(F)CC5)c4[nH]3)c2c1.
What is the InChIKey of (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine?
The InChIKey is MMDULNJXNBRPIR-RAWMCFOBSA-N. The full InChI is InChI=1S/C21H20F2N8/c1-12(11-26-24)13-2-3-15-14(10-13)17(30-29-15)20-27-18-16(4-7-25-19(18)28-20)31-8-5-21(22,23)6-9-31/h2-4,7,10-11H,1,5-6,8-9,24H2,(H,29,30)(H,25,27,28)/b26-11-.
What are the key properties of (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine?
(Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine has a molecular weight of 422.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]prop-2-enylidenehydrazine is sourced from PubChem (CID 145037089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).