4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine

C36H35N11O2 — CID 157172460

IUPAC4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1ccc2cnn(-c3cc(N4CCOCC4)ncn3)c2c1.c1cncc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)c1
InChIInChI=1S/C20H18N6O.C16H17N5O/c1-2-16(12-21-5-1)15-3-4-17-13-24-26(18(17)10-15)20-11-19(22-14-23-20)25-6-8-27-9-7-25;1-12-2-3-13-10-19-21(14(13)8-12)16-9-15(17-11-18-16)20-4-6-22-7-5-20/h1-5,10-14H,6-9H2;2-3,8-11H,4-7H2,1H3
InChIKeyANQBMMFCSGHYQE-UHFFFAOYSA-N
MW653.75 g/mol
LogP4.67
Rot. Bonds5

About 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine

4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 157172460) has the molecular formula C36H35N11O2 and a molecular weight of 653.75 g/mol. Its IUPAC name is 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
PubChem CID157172460
Molecular FormulaC36H35N11O2
Molecular Weight653.75 g/mol
Exact Mass653.30
IUPAC Name4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1ccc2cnn(-c3cc(N4CCOCC4)ncn3)c2c1.c1cncc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)c1
InChIInChI=1S/C20H18N6O.C16H17N5O/c1-2-16(12-21-5-1)15-3-4-17-13-24-26(18(17)10-15)20-11-19(22-14-23-20)25-6-8-27-9-7-25;1-12-2-3-13-10-19-21(14(13)8-12)16-9-15(17-11-18-16)20-4-6-22-7-5-20/h1-5,10-14H,6-9H2;2-3,8-11H,4-7H2,1H3
InChIKeyANQBMMFCSGHYQE-UHFFFAOYSA-N
XLogP4.67
TPSA125.03 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Vabametkib
CID 73504719
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
Pyrazolo pyrimidine, 5k
CID 25196900
4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
Pyrazolo pyrimidine, 5l
CID 44520816
N2-(2,6-dimorpholinopyridin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645046
9-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 49837198
US10023576, Example 63
CID 130362847
5-[2-(Oxan-4-yl)pyrazol-3-yl]-7-[3-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 132210002
Pyrazolo pyrimidine, 5i
CID 44520814

Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine (CID 157172460) is 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine is Cc1ccc2cnn(-c3cc(N4CCOCC4)ncn3)c2c1.c1cncc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)c1.
What is the InChIKey of 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is ANQBMMFCSGHYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O.C16H17N5O/c1-2-16(12-21-5-1)15-3-4-17-13-24-26(18(17)10-15)20-11-19(22-14-23-20)25-6-8-27-9-7-25;1-12-2-3-13-10-19-21(14(13)8-12)16-9-15(17-11-18-16)20-4-6-22-7-5-20/h1-5,10-14H,6-9H2;2-3,8-11H,4-7H2,1H3.
What are the key properties of 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 653.75 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 157172460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).