[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

C20H23N5O3 — CID 123483257

IUPAC[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCOC(CO)C5)ncn4)c3c2)CC1
InChIInChI=1S/C20H23N5O3/c1-20(4-5-20)28-13-2-3-16-15(8-13)19(24-23-16)17-9-18(22-12-21-17)25-6-7-27-14(10-25)11-26/h2-3,8-9,12,14,26H,4-7,10-11H2,1H3,(H,23,24)
InChIKeyNSBBQELLKVUGIG-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.15
Rot. Bonds5

About [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol

[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 123483257) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID123483257
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCOC(CO)C5)ncn4)c3c2)CC1
InChIInChI=1S/C20H23N5O3/c1-20(4-5-20)28-13-2-3-16-15(8-13)19(24-23-16)17-9-18(22-12-21-17)25-6-7-27-14(10-25)11-26/h2-3,8-9,12,14,26H,4-7,10-11H2,1H3,(H,23,24)
InChIKeyNSBBQELLKVUGIG-UHFFFAOYSA-N
XLogP2.15
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol (CID 123483257) is [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCOC(CO)C5)ncn4)c3c2)CC1.
What is the InChIKey of [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is NSBBQELLKVUGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-20(4-5-20)28-13-2-3-16-15(8-13)19(24-23-16)17-9-18(22-12-21-17)25-6-7-27-14(10-25)11-26/h2-3,8-9,12,14,26H,4-7,10-11H2,1H3,(H,23,24).
What are the key properties of [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol?
[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 381.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 123483257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).