2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane

C27H31N7O2 — CID 177026872

IUPAC2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane
SMILESCC.Cc1ccc2c(cnn2C2CCCCO2)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(C#N)c21
InChIInChI=1S/C25H25N7O2.C2H6/c1-13-5-8-18-16(12-30-32(18)19-4-2-3-9-34-19)22(13)31-23-15(10-26)21(14-6-7-14)29-11-17(23)20(24(31)27)25(28)33;1-2/h5,8,11-12,14,19H,2-4,6-7,9,27H2,1H3,(H2,28,33);1-2H3
InChIKeyVBWKTFBTWVOUBA-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.84
Rot. Bonds4

About 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane

2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane (PubChem CID 177026872) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane
PubChem CID177026872
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane
SMILESCC.Cc1ccc2c(cnn2C2CCCCO2)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(C#N)c21
InChIInChI=1S/C25H25N7O2.C2H6/c1-13-5-8-18-16(12-30-32(18)19-4-2-3-9-34-19)22(13)31-23-15(10-26)21(14-6-7-14)29-11-17(23)20(24(31)27)25(28)33;1-2/h5,8,11-12,14,19H,2-4,6-7,9,27H2,1H3,(H2,28,33);1-2H3
InChIKeyVBWKTFBTWVOUBA-UHFFFAOYSA-N
XLogP4.84
TPSA137.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?
The IUPAC name of 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane (CID 177026872) is 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?
The canonical SMILES for 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane is CC.Cc1ccc2c(cnn2C2CCCCO2)c1-n1c(N)c(C(N)=O)c2cnc(C3CC3)c(C#N)c21.
What is the InChIKey of 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?
The InChIKey is VBWKTFBTWVOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.C2H6/c1-13-5-8-18-16(12-30-32(18)19-4-2-3-9-34-19)22(13)31-23-15(10-26)21(14-6-7-14)29-11-17(23)20(24(31)27)25(28)33;1-2/h5,8,11-12,14,19H,2-4,6-7,9,27H2,1H3,(H2,28,33);1-2H3.
What are the key properties of 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane?
2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane has a molecular weight of 485.59 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-cyano-6-cyclopropyl-1-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 177026872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).