4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

C20H23N5O — CID 130414249

IUPAC4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1(Cc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1
InChIInChI=1S/C20H23N5O/c1-20(4-5-20)12-14-2-3-16-15(10-14)19(24-23-16)17-11-18(22-13-21-17)25-6-8-26-9-7-25/h2-3,10-11,13H,4-9,12H2,1H3,(H,23,24)
InChIKeyKHGNQLLRLCLXRA-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.20
Rot. Bonds4

About 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 130414249) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID130414249
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1(Cc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1
InChIInChI=1S/C20H23N5O/c1-20(4-5-20)12-14-2-3-16-15(10-14)19(24-23-16)17-11-18(22-13-21-17)25-6-8-26-9-7-25/h2-3,10-11,13H,4-9,12H2,1H3,(H,23,24)
InChIKeyKHGNQLLRLCLXRA-UHFFFAOYSA-N
XLogP3.20
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol
CID 90398051
4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen
CID 142499116
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
ethane;6-fluoro-5-[(1-methylcyclopropyl)methyl]-3-(6-piperazin-1-ylpyrimidin-4-yl)-1H-indazole
CID 165137372
N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
CID 85472354
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 123483257
4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine
CID 123187255
2-methyl-8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 78324899
3-[6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]-5-[(1-methylcyclopropyl)methyl]-1H-indazole;3-[6-(4-hydroxypiperidin-1-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171080308
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (CID 130414249) is 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is CC1(Cc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1.
What is the InChIKey of 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is KHGNQLLRLCLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-20(4-5-20)12-14-2-3-16-15(10-14)19(24-23-16)17-11-18(22-13-21-17)25-6-8-26-9-7-25/h2-3,10-11,13H,4-9,12H2,1H3,(H,23,24).
What are the key properties of 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 349.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 130414249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).