(3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine

C19H25ClN6O — CID 89397272

IUPAC(3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc2c1CN(c1cc(C3CC3)nn1C)CC2
InChIInChI=1S/C19H25ClN6O/c1-12-11-27-8-7-26(12)18-14-10-25(6-5-15(14)21-19(20)22-18)17-9-16(13-3-4-13)23-24(17)2/h9,12-13H,3-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyKWCWTHSZPWKXHC-GFCCVEGCSA-N
MW388.90 g/mol
LogP2.53
Rot. Bonds3

About (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 89397272) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID89397272
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name(3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc2c1CN(c1cc(C3CC3)nn1C)CC2
InChIInChI=1S/C19H25ClN6O/c1-12-11-27-8-7-26(12)18-14-10-25(6-5-15(14)21-19(20)22-18)17-9-16(13-3-4-13)23-24(17)2/h9,12-13H,3-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyKWCWTHSZPWKXHC-GFCCVEGCSA-N
XLogP2.53
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine (CID 89397272) is (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nc(Cl)nc2c1CN(c1cc(C3CC3)nn1C)CC2.
What is the InChIKey of (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is KWCWTHSZPWKXHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-12-11-27-8-7-26(12)18-14-10-25(6-5-15(14)21-19(20)22-18)17-9-16(13-3-4-13)23-24(17)2/h9,12-13H,3-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 388.90 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-chloro-6-(3-cyclopropyl-1-methylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 89397272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).