4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol

C24H19ClFN5O — CID 151345176

IUPAC4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol
SMILESCNc1ncc(-n2nc(N)c3cc(F)c(-c4ccc(O)c5ccccc45)cc32)c(Cl)c1C
InChIInChI=1S/C24H19ClFN5O/c1-12-22(25)20(11-29-24(12)28-2)31-19-10-16(18(26)9-17(19)23(27)30-31)14-7-8-21(32)15-6-4-3-5-13(14)15/h3-11,32H,1-2H3,(H2,27,30)(H,28,29)
InChIKeyOLHSUYVYCWVXTG-UHFFFAOYSA-N
MW447.90 g/mol
LogP5.67
Rot. Bonds3

About 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol

4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol (PubChem CID 151345176) has the molecular formula C24H19ClFN5O and a molecular weight of 447.90 g/mol. Its IUPAC name is 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol
PubChem CID151345176
Molecular FormulaC24H19ClFN5O
Molecular Weight447.90 g/mol
Exact Mass447.13
IUPAC Name4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol
SMILESCNc1ncc(-n2nc(N)c3cc(F)c(-c4ccc(O)c5ccccc45)cc32)c(Cl)c1C
InChIInChI=1S/C24H19ClFN5O/c1-12-22(25)20(11-29-24(12)28-2)31-19-10-16(18(26)9-17(19)23(27)30-31)14-7-8-21(32)15-6-4-3-5-13(14)15/h3-11,32H,1-2H3,(H2,27,30)(H,28,29)
InChIKeyOLHSUYVYCWVXTG-UHFFFAOYSA-N
XLogP5.67
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.90
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol?
The IUPAC name of 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol (CID 151345176) is 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol.
What is the SMILES notation for 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol?
The canonical SMILES for 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol is CNc1ncc(-n2nc(N)c3cc(F)c(-c4ccc(O)c5ccccc45)cc32)c(Cl)c1C.
What is the InChIKey of 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol?
The InChIKey is OLHSUYVYCWVXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O/c1-12-22(25)20(11-29-24(12)28-2)31-19-10-16(18(26)9-17(19)23(27)30-31)14-7-8-21(32)15-6-4-3-5-13(14)15/h3-11,32H,1-2H3,(H2,27,30)(H,28,29).
What are the key properties of 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol?
4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol has a molecular weight of 447.90 g/mol, XLogP of 5.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-[4-chloro-5-methyl-6-(methylamino)-3-pyridinyl]-5-fluoroindazol-6-yl]naphthalen-1-ol is sourced from PubChem (CID 151345176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).