N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine

C22H24F3N7 — CID 176566734

IUPACN-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
SMILESC[C@@H]1CN(c2cc(C(F)F)c3c(Nc4cc(F)c5nn(C)cc5c4)n[nH]c3c2)C[C@H](C)N1
InChIInChI=1S/C22H24F3N7/c1-11-8-32(9-12(2)26-11)15-6-16(21(24)25)19-18(7-15)28-29-22(19)27-14-4-13-10-31(3)30-20(13)17(23)5-14/h4-7,10-12,21,26H,8-9H2,1-3H3,(H2,27,28,29)/t11-,12+
InChIKeyYGHCICMNGLXLQD-TXEJJXNPSA-N
MW443.48 g/mol
LogP4.46
Rot. Bonds4

About N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine

N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine (PubChem CID 176566734) has the molecular formula C22H24F3N7 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
PubChem CID176566734
Molecular FormulaC22H24F3N7
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC NameN-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
SMILESC[C@@H]1CN(c2cc(C(F)F)c3c(Nc4cc(F)c5nn(C)cc5c4)n[nH]c3c2)C[C@H](C)N1
InChIInChI=1S/C22H24F3N7/c1-11-8-32(9-12(2)26-11)15-6-16(21(24)25)19-18(7-15)28-29-22(19)27-14-4-13-10-31(3)30-20(13)17(23)5-14/h4-7,10-12,21,26H,8-9H2,1-3H3,(H2,27,28,29)/t11-,12+
InChIKeyYGHCICMNGLXLQD-TXEJJXNPSA-N
XLogP4.46
TPSA73.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethyl)-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566634
N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566226
N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567106
6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 176566909
N-[4-cyclopropyl-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567167
5-[[4-chloro-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]amino]-2-methylindazole-7-carbonitrile
CID 176566250
4-chloro-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-1,2-benzoxazol-3-amine
CID 176565980
8-cyclopropyl-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)isoquinolin-1-amine
CID 176567493
5-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)quinazolin-4-amine
CID 176567187
4-chloro-1-(cyclopropylmethyl)-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)indazol-3-amine
CID 176565979
N-[4-chloro-6-[(3S,5R)-3-[4-[[3-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)amino]-6-piperazin-1-yl-1H-indazol-4-yl]sulfanylmethyl]phenyl]-5-methylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566943
N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 176566800

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
The IUPAC name of N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine (CID 176566734) is N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine.
What is the SMILES notation for N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
The canonical SMILES for N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine is C[C@@H]1CN(c2cc(C(F)F)c3c(Nc4cc(F)c5nn(C)cc5c4)n[nH]c3c2)C[C@H](C)N1.
What is the InChIKey of N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
The InChIKey is YGHCICMNGLXLQD-TXEJJXNPSA-N. The full InChI is InChI=1S/C22H24F3N7/c1-11-8-32(9-12(2)26-11)15-6-16(21(24)25)19-18(7-15)28-29-22(19)27-14-4-13-10-31(3)30-20(13)17(23)5-14/h4-7,10-12,21,26H,8-9H2,1-3H3,(H2,27,28,29)/t11-,12+.
What are the key properties of N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine has a molecular weight of 443.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine is sourced from PubChem (CID 176566734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).