2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide

C23H24FN7O3 — CID 168976917

IUPAC2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide
SMILESCn1cc2cc(-c3nc(C(=O)NCCO)c4cc(N5CCNCC5)ccc4n3)c(O)c(F)c2n1
InChIInChI=1S/C23H24FN7O3/c1-30-12-13-10-16(21(33)18(24)19(13)29-30)22-27-17-3-2-14(31-7-4-25-5-8-31)11-15(17)20(28-22)23(34)26-6-9-32/h2-3,10-12,25,32-33H,4-9H2,1H3,(H,26,34)
InChIKeyMXXUGRVEUXBCMC-UHFFFAOYSA-N
MW465.49 g/mol
LogP1.16
Rot. Bonds5

About 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide

2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide (PubChem CID 168976917) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide
PubChem CID168976917
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide
SMILESCn1cc2cc(-c3nc(C(=O)NCCO)c4cc(N5CCNCC5)ccc4n3)c(O)c(F)c2n1
InChIInChI=1S/C23H24FN7O3/c1-30-12-13-10-16(21(33)18(24)19(13)29-30)22-27-17-3-2-14(31-7-4-25-5-8-31)11-15(17)20(28-22)23(34)26-6-9-32/h2-3,10-12,25,32-33H,4-9H2,1H3,(H,26,34)
InChIKeyMXXUGRVEUXBCMC-UHFFFAOYSA-N
XLogP1.16
TPSA128.43 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide?
The IUPAC name of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide (CID 168976917) is 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide.
What is the SMILES notation for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide?
The canonical SMILES for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide is Cn1cc2cc(-c3nc(C(=O)NCCO)c4cc(N5CCNCC5)ccc4n3)c(O)c(F)c2n1.
What is the InChIKey of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide?
The InChIKey is MXXUGRVEUXBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-30-12-13-10-16(21(33)18(24)19(13)29-30)22-27-17-3-2-14(31-7-4-25-5-8-31)11-15(17)20(28-22)23(34)26-6-9-32/h2-3,10-12,25,32-33H,4-9H2,1H3,(H,26,34).
What are the key properties of 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide?
2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-(2-hydroxyethyl)-6-piperazin-1-ylquinazoline-4-carboxamide is sourced from PubChem (CID 168976917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).