4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine

C24H26N6O — CID 58258958

IUPAC4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine
SMILESCc1cnc2[nH]cc(Cc3cnc(CCc4ccnc(N5CCOCC5)c4)nc3)c2c1
InChIInChI=1S/C24H26N6O/c1-17-10-21-20(16-29-24(21)28-13-17)11-19-14-26-22(27-15-19)3-2-18-4-5-25-23(12-18)30-6-8-31-9-7-30/h4-5,10,12-16H,2-3,6-9,11H2,1H3,(H,28,29)
InChIKeyCFBCSPUHYPRBSN-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.27
Rot. Bonds6

About 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine

4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine (PubChem CID 58258958) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine
PubChem CID58258958
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine
SMILESCc1cnc2[nH]cc(Cc3cnc(CCc4ccnc(N5CCOCC5)c4)nc3)c2c1
InChIInChI=1S/C24H26N6O/c1-17-10-21-20(16-29-24(21)28-13-17)11-19-14-26-22(27-15-19)3-2-18-4-5-25-23(12-18)30-6-8-31-9-7-30/h4-5,10,12-16H,2-3,6-9,11H2,1H3,(H,28,29)
InChIKeyCFBCSPUHYPRBSN-UHFFFAOYSA-N
XLogP3.27
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

PF-06447475
CID 72706840
Ceralasertib
CID 54761306
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile
CID 89915073
7-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646625
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
4-[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706586
trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415997

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine (CID 58258958) is 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine is Cc1cnc2[nH]cc(Cc3cnc(CCc4ccnc(N5CCOCC5)c4)nc3)c2c1.
What is the InChIKey of 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine?
The InChIKey is CFBCSPUHYPRBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-10-21-20(16-29-24(21)28-13-17)11-19-14-26-22(27-15-19)3-2-18-4-5-25-23(12-18)30-6-8-31-9-7-30/h4-5,10,12-16H,2-3,6-9,11H2,1H3,(H,28,29).
What are the key properties of 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine?
4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine has a molecular weight of 414.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 58258958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).