N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine

C24H25F2N7 — CID 131981907

IUPACN-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine
SMILESCCNc1n[nH]c2ccc(-c3ccc(NC[C@H](c4ncccc4F)C4CC[C@@H]4F)nn3)cc12
InChIInChI=1S/C24H25F2N7/c1-2-27-24-16-12-14(5-8-21(16)31-33-24)20-9-10-22(32-30-20)29-13-17(15-6-7-18(15)25)23-19(26)4-3-11-28-23/h3-5,8-12,15,17-18H,2,6-7,13H2,1H3,(H,29,32)(H2,27,31,33)/t15?,17-,18-/m0/s1
InChIKeyPUFVKDAFUGEOMH-BEEDKBRMSA-N
MW449.51 g/mol
LogP4.93
Rot. Bonds8

About N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine

N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine (PubChem CID 131981907) has the molecular formula C24H25F2N7 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine
PubChem CID131981907
Molecular FormulaC24H25F2N7
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine
SMILESCCNc1n[nH]c2ccc(-c3ccc(NC[C@H](c4ncccc4F)C4CC[C@@H]4F)nn3)cc12
InChIInChI=1S/C24H25F2N7/c1-2-27-24-16-12-14(5-8-21(16)31-33-24)20-9-10-22(32-30-20)29-13-17(15-6-7-18(15)25)23-19(26)4-3-11-28-23/h3-5,8-12,15,17-18H,2,6-7,13H2,1H3,(H,29,32)(H2,27,31,33)/t15?,17-,18-/m0/s1
InChIKeyPUFVKDAFUGEOMH-BEEDKBRMSA-N
XLogP4.93
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N'-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-indazol-3-yl]ethane-1,2-diamine;5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propyl-1H-indazol-3-amine
CID 159121074
N-[5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indazol-3-yl]methanesulfonamide
CID 126725381
6-(3,4-difluorophenyl)-N-ethylpyridazin-3-amine
CID 62201604
tert-butyl N-[2-[[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-1H-indazol-3-yl]amino]ethyl]carbamate
CID 139323915
5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 116973198
[2-[1-[[6-(3-amino-1H-indazol-5-yl)pyridazin-3-yl]amino]propan-2-yl]phenyl]methanol
CID 139323954
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
6-(4-amino-3-ethenylphenyl)-N-[2-(3-fluoro-2-pyridinyl)-2-methylpropyl]pyridazin-3-amine
CID 139323717
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-(2-hydroxy-2-methylpropyl)formamide
CID 89420539
N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide
CID 141481010
5-[3-(ethylamino)-1H-indazol-5-yl]-1,3-benzoxazol-2-amine
CID 123245108

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine?
The IUPAC name of N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine (CID 131981907) is N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine?
The canonical SMILES for N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine is CCNc1n[nH]c2ccc(-c3ccc(NC[C@H](c4ncccc4F)C4CC[C@@H]4F)nn3)cc12.
What is the InChIKey of N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine?
The InChIKey is PUFVKDAFUGEOMH-BEEDKBRMSA-N. The full InChI is InChI=1S/C24H25F2N7/c1-2-27-24-16-12-14(5-8-21(16)31-33-24)20-9-10-22(32-30-20)29-13-17(15-6-7-18(15)25)23-19(26)4-3-11-28-23/h3-5,8-12,15,17-18H,2,6-7,13H2,1H3,(H,29,32)(H2,27,31,33)/t15?,17-,18-/m0/s1.
What are the key properties of N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine?
N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine has a molecular weight of 449.51 g/mol, XLogP of 4.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[6-[[(2R)-2-[(2S)-2-fluorocyclobutyl]-2-(3-fluoro-2-pyridinyl)ethyl]amino]pyridazin-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 131981907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).