2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol

C23H30FN5O2 — CID 123892299

IUPAC2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol
SMILESCC(C)Oc1cc2c(-c3cc(C(C)C4CC(C)C(N)C(O)C4)ncn3)n[nH]c2cc1F
InChIInChI=1S/C23H30FN5O2/c1-11(2)31-21-7-15-18(8-16(21)24)28-29-23(15)19-9-17(26-10-27-19)13(4)14-5-12(3)22(25)20(30)6-14/h7-14,20,22,30H,5-6,25H2,1-4H3,(H,28,29)
InChIKeyITDGPVBCOPYOAT-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.78
Rot. Bonds5

About 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol

2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol (PubChem CID 123892299) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol
PubChem CID123892299
Molecular FormulaC23H30FN5O2
Molecular Weight427.52 g/mol
Exact Mass427.24
IUPAC Name2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol
SMILESCC(C)Oc1cc2c(-c3cc(C(C)C4CC(C)C(N)C(O)C4)ncn3)n[nH]c2cc1F
InChIInChI=1S/C23H30FN5O2/c1-11(2)31-21-7-15-18(8-16(21)24)28-29-23(15)19-9-17(26-10-27-19)13(4)14-5-12(3)22(25)20(30)6-14/h7-14,20,22,30H,5-6,25H2,1-4H3,(H,28,29)
InChIKeyITDGPVBCOPYOAT-UHFFFAOYSA-N
XLogP3.78
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 78323412
3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 78324043
3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 90398390
7-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 90398694
1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 165137199
(2R,6S)-4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90398069
(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 130372041
7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 90398413
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
CID 90398418
4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123977170
6-fluoro-5-[1-[(2S)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-2-yloxy]-3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazole
CID 166765077

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol (CID 123892299) is 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol is CC(C)Oc1cc2c(-c3cc(C(C)C4CC(C)C(N)C(O)C4)ncn3)n[nH]c2cc1F.
What is the InChIKey of 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol?
The InChIKey is ITDGPVBCOPYOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-11(2)31-21-7-15-18(8-16(21)24)28-29-23(15)19-9-17(26-10-27-19)13(4)14-5-12(3)22(25)20(30)6-14/h7-14,20,22,30H,5-6,25H2,1-4H3,(H,28,29).
What are the key properties of 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol?
2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol has a molecular weight of 427.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]ethyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 123892299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).