5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide

C25H31N5O2 — CID 177268832

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide
SMILESCOc1ncc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccn(C)c12
InChIInChI=1S/C25H31N5O2/c1-16-6-7-17(30-14-18(15-30)28(2)3)12-20(16)23(31)27-25(9-10-25)21-13-26-24(32-5)22-19(21)8-11-29(22)4/h6-8,11-13,18H,9-10,14-15H2,1-5H3,(H,27,31)
InChIKeyKIWMEVVAQBAGNS-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.06
Rot. Bonds6

About 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide

5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide (PubChem CID 177268832) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide
PubChem CID177268832
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide
SMILESCOc1ncc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccn(C)c12
InChIInChI=1S/C25H31N5O2/c1-16-6-7-17(30-14-18(15-30)28(2)3)12-20(16)23(31)27-25(9-10-25)21-13-26-24(32-5)22-19(21)8-11-29(22)4/h6-8,11-13,18H,9-10,14-15H2,1-5H3,(H,27,31)
InChIKeyKIWMEVVAQBAGNS-UHFFFAOYSA-N
XLogP3.06
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide (CID 177268832) is 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide is COc1ncc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccn(C)c12.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide?
The InChIKey is KIWMEVVAQBAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16-6-7-17(30-14-18(15-30)28(2)3)12-20(16)23(31)27-25(9-10-25)21-13-26-24(32-5)22-19(21)8-11-29(22)4/h6-8,11-13,18H,9-10,14-15H2,1-5H3,(H,27,31).
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide?
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide has a molecular weight of 433.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-4-yl)cyclopropyl]-2-methylbenzamide is sourced from PubChem (CID 177268832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).