4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine

C22H35N5O — CID 118140285

IUPAC4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine
SMILESCc1cc2c(cc(CCN3CCOCC3)n2C)c(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C22H35N5O/c1-17(2)26-7-9-27(10-8-26)22-20-16-19(5-6-25-11-13-28-14-12-25)24(4)21(20)15-18(3)23-22/h15-17H,5-14H2,1-4H3
InChIKeyGMBKMENOTSULAG-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.29
Rot. Bonds5

About 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine

4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine (PubChem CID 118140285) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine
PubChem CID118140285
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine
SMILESCc1cc2c(cc(CCN3CCOCC3)n2C)c(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C22H35N5O/c1-17(2)26-7-9-27(10-8-26)22-20-16-19(5-6-25-11-13-28-14-12-25)24(4)21(20)15-18(3)23-22/h15-17H,5-14H2,1-4H3
InChIKeyGMBKMENOTSULAG-UHFFFAOYSA-N
XLogP2.29
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-2-(2-morpholin-4-ylethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126651399
4-[[2-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]methyl]morpholine
CID 23728822
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171334151
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171333986
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-methyl-N-(2-morpholin-4-ylethyl)-6-piperidin-1-ylpyrimidin-2-amine
CID 112909978
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine (CID 118140285) is 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine is Cc1cc2c(cc(CCN3CCOCC3)n2C)c(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine?
The InChIKey is GMBKMENOTSULAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-17(2)26-7-9-27(10-8-26)22-20-16-19(5-6-25-11-13-28-14-12-25)24(4)21(20)15-18(3)23-22/h15-17H,5-14H2,1-4H3.
What are the key properties of 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine?
4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine has a molecular weight of 385.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-yl]ethyl]morpholine is sourced from PubChem (CID 118140285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).