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

C19H21N5O2 — CID 78323982

IUPAC4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1
InChIInChI=1S/C19H21N5O2/c1-19(4-5-19)26-13-2-3-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-6-8-25-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,22,23)
InChIKeyJHYVPQOVIVDZRZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.79
Rot. Bonds4

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

4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 78323982) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID78323982
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1
InChIInChI=1S/C19H21N5O2/c1-19(4-5-19)26-13-2-3-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-6-8-25-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,22,23)
InChIKeyJHYVPQOVIVDZRZ-UHFFFAOYSA-N
XLogP2.79
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
MLi-2
CID 78319901
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-[(prop-2-en-1-yloxy)imino]methyl]pyrimidin-4-amine
CID 23646055
5-[(1E)-[(benzyloxy)imino]methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646058
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-{[2-(methylamino)ethoxy]imino}methyl]pyrimidin-4-amine
CID 23646059
5-[(1E)-{[2-(dimethylamino)ethoxy]imino}methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646060

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (CID 78323982) is 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1.
What is the InChIKey of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is JHYVPQOVIVDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-19(4-5-19)26-13-2-3-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-6-8-25-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,22,23).
What are the key properties of 4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 351.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]morpholine is sourced from PubChem (CID 78323982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).