1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C24H30N6O2 — CID 137498320

IUPAC1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)CC1
InChIInChI=1S/C24H30N6O2/c1-3-22(31)29-10-6-17(7-11-29)20-14-21(30-12-13-32-15-16(30)2)28-24(27-20)19-5-9-26-23-18(19)4-8-25-23/h4-5,8-9,14,16-17H,3,6-7,10-13,15H2,1-2H3,(H,25,26)/t16-/m1/s1
InChIKeyMZAMFKFTJBCZTG-MRXNPFEDSA-N
MW434.54 g/mol
LogP3.36
Rot. Bonds4

About 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 137498320) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID137498320
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)CC1
InChIInChI=1S/C24H30N6O2/c1-3-22(31)29-10-6-17(7-11-29)20-14-21(30-12-13-32-15-16(30)2)28-24(27-20)19-5-9-26-23-18(19)4-8-25-23/h4-5,8-9,14,16-17H,3,6-7,10-13,15H2,1-2H3,(H,25,26)/t16-/m1/s1
InChIKeyMZAMFKFTJBCZTG-MRXNPFEDSA-N
XLogP3.36
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 137498320) is 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)CC1.
What is the InChIKey of 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is MZAMFKFTJBCZTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-3-22(31)29-10-6-17(7-11-29)20-14-21(30-12-13-32-15-16(30)2)28-24(27-20)19-5-9-26-23-18(19)4-8-25-23/h4-5,8-9,14,16-17H,3,6-7,10-13,15H2,1-2H3,(H,25,26)/t16-/m1/s1.
What are the key properties of 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 137498320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).