2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide

C24H23N7O3 — CID 146592134

IUPAC2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1
InChIInChI=1S/C24H23N7O3/c1-14(34-22-11-16-9-15(24(26)33)3-4-19(16)29-23(22)25)18-12-20-17(13-28-31(20)7-8-32)10-21(18)30-6-2-5-27-30/h2-6,9-14,32H,7-8H2,1H3,(H2,25,29)(H2,26,33)/t14-/m0/s1
InChIKeyYCCLQGKSPNRWEF-AWEZNQCLSA-N
MW457.49 g/mol
LogP2.58
Rot. Bonds7

About 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide

2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide (PubChem CID 146592134) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide
PubChem CID146592134
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide
SMILESC[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1
InChIInChI=1S/C24H23N7O3/c1-14(34-22-11-16-9-15(24(26)33)3-4-19(16)29-23(22)25)18-12-20-17(13-28-31(20)7-8-32)10-21(18)30-6-2-5-27-30/h2-6,9-14,32H,7-8H2,1H3,(H2,25,29)(H2,26,33)/t14-/m0/s1
InChIKeyYCCLQGKSPNRWEF-AWEZNQCLSA-N
XLogP2.58
TPSA147.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide (CID 146592134) is 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide is C[C@H](Oc1cc2cc(C(N)=O)ccc2nc1N)c1cc2c(cnn2CCO)cc1-n1cccn1.
What is the InChIKey of 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide?
The InChIKey is YCCLQGKSPNRWEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-14(34-22-11-16-9-15(24(26)33)3-4-19(16)29-23(22)25)18-12-20-17(13-28-31(20)7-8-32)10-21(18)30-6-2-5-27-30/h2-6,9-14,32H,7-8H2,1H3,(H2,25,29)(H2,26,33)/t14-/m0/s1.
What are the key properties of 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide?
2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1S)-1-[1-(2-hydroxyethyl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinoline-6-carboxamide is sourced from PubChem (CID 146592134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).