(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

C24H27N7O2 — CID 59703475

IUPAC(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cnc4[nH]ccc4c3)nc2n1
InChIInChI=1S/C24H27N7O2/c1-15-13-32-9-7-30(15)23-19-3-4-20(18-11-17-5-6-25-21(17)26-12-18)27-22(19)28-24(29-23)31-8-10-33-14-16(31)2/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,25,26)/t15-,16-/m0/s1
InChIKeyJBHQUVSFYPISGI-HOTGVXAUSA-N
MW445.53 g/mol
LogP3.02
Rot. Bonds3

About (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 59703475) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID59703475
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cnc4[nH]ccc4c3)nc2n1
InChIInChI=1S/C24H27N7O2/c1-15-13-32-9-7-30(15)23-19-3-4-20(18-11-17-5-6-25-21(17)26-12-18)27-22(19)28-24(29-23)31-8-10-33-14-16(31)2/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,25,26)/t15-,16-/m0/s1
InChIKeyJBHQUVSFYPISGI-HOTGVXAUSA-N
XLogP3.02
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (CID 59703475) is (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cnc4[nH]ccc4c3)nc2n1.
What is the InChIKey of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is JBHQUVSFYPISGI-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-13-32-9-7-30(15)23-19-3-4-20(18-11-17-5-6-25-21(17)26-12-18)27-22(19)28-24(29-23)31-8-10-33-14-16(31)2/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,25,26)/t15-,16-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
(3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 445.53 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[2-[(3S)-3-methylmorpholin-4-yl]-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59703475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).