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

C47H51F2N15 — CID 159121074

IUPACN'-[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
SMILESCCCNc1n[nH]c2ccc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)cc12.NCCNc1n[nH]c2ccc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)cc12
InChIInChI=1S/C24H26FN7.C23H25FN8/c1-2-12-27-23-17-14-16(6-7-20(17)30-32-23)19-8-9-21(31-29-19)28-15-24(10-4-11-24)22-18(25)5-3-13-26-22;24-17-3-1-11-26-21(17)23(8-2-9-23)14-28-20-7-6-18(29-31-20)15-4-5-19-16(13-15)22(32-30-19)27-12-10-25/h3,5-9,13-14H,2,4,10-12,15H2,1H3,(H,28,31)(H2,27,30,32);1,3-7,11,13H,2,8-10,12,14,25H2,(H,28,31)(H2,27,30,32)
InChIKeyKFRXXQBURPSKLR-UHFFFAOYSA-N
MW864.03 g/mol
LogP8.37
Rot. Bonds16

About 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

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 (PubChem CID 159121074) has the molecular formula C47H51F2N15 and a molecular weight of 864.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-[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
PubChem CID159121074
Molecular FormulaC47H51F2N15
Molecular Weight864.03 g/mol
Exact Mass863.44
IUPAC NameN'-[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
SMILESCCCNc1n[nH]c2ccc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)cc12.NCCNc1n[nH]c2ccc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)cc12
InChIInChI=1S/C24H26FN7.C23H25FN8/c1-2-12-27-23-17-14-16(6-7-20(17)30-32-23)19-8-9-21(31-29-19)28-15-24(10-4-11-24)22-18(25)5-3-13-26-22;24-17-3-1-11-26-21(17)23(8-2-9-23)14-28-20-7-6-18(29-31-20)15-4-5-19-16(13-15)22(32-30-19)27-12-10-25/h3,5-9,13-14H,2,4,10-12,15H2,1H3,(H,28,31)(H2,27,30,32);1,3-7,11,13H,2,8-10,12,14,25H2,(H,28,31)(H2,27,30,32)
InChIKeyKFRXXQBURPSKLR-UHFFFAOYSA-N
XLogP8.37
TPSA208.84 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500864.03
LogP ≤ 58.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzamide;2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzenecarbothioamide
CID 157428665
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192
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
amino-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,2-oxazol-3-yl]methanol
CID 131981877
6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
CID 159158984
N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-(2-hydroxy-2-methylpropyl)formamide
CID 89420539
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(2,2,2-trifluoro-1-nitrosoethyl)-1,3-thiazol-2-yl]pyridazin-3-amine
CID 123507272
3-[[[6-(3-carbamoylphenyl)pyridazin-3-yl]amino]methyl]-3-(3-fluoro-2-pyridinyl)azetidine-1-carboxylic acid
CID 121281847
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(5-methyl-1H-imidazol-4-yl)pyridazine-3-carboxamide
CID 131981908
N-[5-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]-1H-indazol-3-yl]methanesulfonamide
CID 126725381
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNc1n[nH]c2ccc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)cc12.NCCNc1n[nH]c2ccc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)cc12.
What is the InChIKey of 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?
The InChIKey is KFRXXQBURPSKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7.C23H25FN8/c1-2-12-27-23-17-14-16(6-7-20(17)30-32-23)19-8-9-21(31-29-19)28-15-24(10-4-11-24)22-18(25)5-3-13-26-22;24-17-3-1-11-26-21(17)23(8-2-9-23)14-28-20-7-6-18(29-31-20)15-4-5-19-16(13-15)22(32-30-19)27-12-10-25/h3,5-9,13-14H,2,4,10-12,15H2,1H3,(H,28,31)(H2,27,30,32);1,3-7,11,13H,2,8-10,12,14,25H2,(H,28,31)(H2,27,30,32).
What are the key properties of 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?
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 has a molecular weight of 864.03 g/mol, XLogP of 8.37, 16 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159121074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).