[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C20H21N7O — CID 90398462

IUPAC[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc(N5CC[C@@H](CO)C5)ncn4)c3c2)cn1
InChIInChI=1S/C20H21N7O/c1-26-10-15(8-23-26)14-2-3-17-16(6-14)20(25-24-17)18-7-19(22-12-21-18)27-5-4-13(9-27)11-28/h2-3,6-8,10,12-13,28H,4-5,9,11H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyHUVIKCCWTMVFRL-CYBMUJFWSA-N
MW375.44 g/mol
LogP2.24
Rot. Bonds4

About [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 90398462) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID90398462
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCn1cc(-c2ccc3[nH]nc(-c4cc(N5CC[C@@H](CO)C5)ncn4)c3c2)cn1
InChIInChI=1S/C20H21N7O/c1-26-10-15(8-23-26)14-2-3-17-16(6-14)20(25-24-17)18-7-19(22-12-21-18)27-5-4-13(9-27)11-28/h2-3,6-8,10,12-13,28H,4-5,9,11H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyHUVIKCCWTMVFRL-CYBMUJFWSA-N
XLogP2.24
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 90398461
N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine
CID 78321525
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 90398854
[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 90400768
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 123483257
1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one
CID 90400794
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137313037
5-(1-methylcyclopropyl)oxy-3-[6-[3-(1-methylpyrazol-4-yl)azetidin-1-yl]pyrimidin-4-yl]-1H-indazole
CID 78320512
1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 123220019
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096
4-[3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]benzonitrile
CID 118652680

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 90398462) is [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CC[C@@H](CO)C5)ncn4)c3c2)cn1.
What is the InChIKey of [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is HUVIKCCWTMVFRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N7O/c1-26-10-15(8-23-26)14-2-3-17-16(6-14)20(25-24-17)18-7-19(22-12-21-18)27-5-4-13(9-27)11-28/h2-3,6-8,10,12-13,28H,4-5,9,11H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 375.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 90398462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).