[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol

C22H24N6O — CID 59615314

IUPAC[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol
SMILESCc1c(N2CCC(CO)CC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C22H24N6O/c1-14-20(28-8-6-15(13-29)7-9-28)5-3-17-11-23-22(26-21(14)17)25-18-4-2-16-12-24-27-19(16)10-18/h2-5,10-12,15,29H,6-9,13H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyGGCSZFCCMVAJAX-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.77
Rot. Bonds4

About [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol

[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol (PubChem CID 59615314) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol
PubChem CID59615314
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol
SMILESCc1c(N2CCC(CO)CC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12
InChIInChI=1S/C22H24N6O/c1-14-20(28-8-6-15(13-29)7-9-28)5-3-17-11-23-22(26-21(14)17)25-18-4-2-16-12-24-27-19(16)10-18/h2-5,10-12,15,29H,6-9,13H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyGGCSZFCCMVAJAX-UHFFFAOYSA-N
XLogP3.77
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol (CID 59615314) is [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol is Cc1c(N2CCC(CO)CC2)ccc2cnc(Nc3ccc4cn[nH]c4c3)nc12.
What is the InChIKey of [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol?
The InChIKey is GGCSZFCCMVAJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-20(28-8-6-15(13-29)7-9-28)5-3-17-11-23-22(26-21(14)17)25-18-4-2-16-12-24-27-19(16)10-18/h2-5,10-12,15,29H,6-9,13H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol?
[1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol has a molecular weight of 388.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1H-indazol-6-ylamino)-8-methylquinazolin-7-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 59615314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).