6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide

C24H32F3N7O — CID 154030087

IUPAC6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
SMILESCCCc1nn(CC(F)F)c2ccc(Nc3nc(N[C@H](CCC)[C@H](C)N)c(F)cc3C(N)=O)cc12
InChIInChI=1S/C24H32F3N7O/c1-4-6-18(13(3)28)31-24-17(25)11-16(22(29)35)23(32-24)30-14-8-9-20-15(10-14)19(7-5-2)33-34(20)12-21(26)27/h8-11,13,18,21H,4-7,12,28H2,1-3H3,(H2,29,35)(H2,30,31,32)/t13-,18+/m0/s1
InChIKeyRICSRLGXPPYMDF-SCLBCKFNSA-N
MW491.56 g/mol
LogP4.56
Rot. Bonds12

About 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide

6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide (PubChem CID 154030087) has the molecular formula C24H32F3N7O and a molecular weight of 491.56 g/mol. Its IUPAC name is 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
PubChem CID154030087
Molecular FormulaC24H32F3N7O
Molecular Weight491.56 g/mol
Exact Mass491.26
IUPAC Name6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
SMILESCCCc1nn(CC(F)F)c2ccc(Nc3nc(N[C@H](CCC)[C@H](C)N)c(F)cc3C(N)=O)cc12
InChIInChI=1S/C24H32F3N7O/c1-4-6-18(13(3)28)31-24-17(25)11-16(22(29)35)23(32-24)30-14-8-9-20-15(10-14)19(7-5-2)33-34(20)12-21(26)27/h8-11,13,18,21H,4-7,12,28H2,1-3H3,(H2,29,35)(H2,30,31,32)/t13-,18+/m0/s1
InChIKeyRICSRLGXPPYMDF-SCLBCKFNSA-N
XLogP4.56
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide (CID 154030087) is 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide is CCCc1nn(CC(F)F)c2ccc(Nc3nc(N[C@H](CCC)[C@H](C)N)c(F)cc3C(N)=O)cc12.
What is the InChIKey of 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
The InChIKey is RICSRLGXPPYMDF-SCLBCKFNSA-N. The full InChI is InChI=1S/C24H32F3N7O/c1-4-6-18(13(3)28)31-24-17(25)11-16(22(29)35)23(32-24)30-14-8-9-20-15(10-14)19(7-5-2)33-34(20)12-21(26)27/h8-11,13,18,21H,4-7,12,28H2,1-3H3,(H2,29,35)(H2,30,31,32)/t13-,18+/m0/s1.
What are the key properties of 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide?
6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 4.56, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 154030087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).