[4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

C18H19ClFN5O2 — CID 135150478

IUPAC[4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1
InChIInChI=1S/C18H19ClFN5O2/c1-10-17(19)22-16(9-26)23-18(10)25-5-4-15(13(20)8-25)27-12-2-3-14-11(6-12)7-21-24-14/h2-3,6-7,13,15,26H,4-5,8-9H2,1H3,(H,21,24)/t13-,15+/m0/s1
InChIKeyWZQXUGBZMYSQSJ-DZGCQCFKSA-N
MW391.83 g/mol
LogP2.80
Rot. Bonds4

About [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

[4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (PubChem CID 135150478) has the molecular formula C18H19ClFN5O2 and a molecular weight of 391.83 g/mol. Its IUPAC name is [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
PubChem CID135150478
Molecular FormulaC18H19ClFN5O2
Molecular Weight391.83 g/mol
Exact Mass391.12
IUPAC Name[4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1
InChIInChI=1S/C18H19ClFN5O2/c1-10-17(19)22-16(9-26)23-18(10)25-5-4-15(13(20)8-25)27-12-2-3-14-11(6-12)7-21-24-14/h2-3,6-7,13,15,26H,4-5,8-9H2,1H3,(H,21,24)/t13-,15+/m0/s1
InChIKeyWZQXUGBZMYSQSJ-DZGCQCFKSA-N
XLogP2.80
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (CID 135150478) is [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is Cc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1.
What is the InChIKey of [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The InChIKey is WZQXUGBZMYSQSJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H19ClFN5O2/c1-10-17(19)22-16(9-26)23-18(10)25-5-4-15(13(20)8-25)27-12-2-3-14-11(6-12)7-21-24-14/h2-3,6-7,13,15,26H,4-5,8-9H2,1H3,(H,21,24)/t13-,15+/m0/s1.
What are the key properties of [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
[4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol has a molecular weight of 391.83 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[(3S,4R)-3-fluoro-4-(1H-indazol-5-yloxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 135150478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).