7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C24H26N4O5 — CID 146634573

IUPAC7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(OC)cc3[C@H]3COCCO3)cc12
InChIInChI=1S/C24H26N4O5/c1-25-24(30)18-11-26-22(28-23(29)13-3-4-13)21-17(18)10-19(27-21)15-6-5-14(31-2)9-16(15)20-12-32-7-8-33-20/h5-6,9-11,13,20,27H,3-4,7-8,12H2,1-2H3,(H,25,30)(H,26,28,29)/t20-/m1/s1
InChIKeyVIQHCJXSRJLTPZ-HXUWFJFHSA-N
MW450.50 g/mol
LogP3.03
Rot. Bonds6

About 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634573) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146634573
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(OC)cc3[C@H]3COCCO3)cc12
InChIInChI=1S/C24H26N4O5/c1-25-24(30)18-11-26-22(28-23(29)13-3-4-13)21-17(18)10-19(27-21)15-6-5-14(31-2)9-16(15)20-12-32-7-8-33-20/h5-6,9-11,13,20,27H,3-4,7-8,12H2,1-2H3,(H,25,30)(H,26,28,29)/t20-/m1/s1
InChIKeyVIQHCJXSRJLTPZ-HXUWFJFHSA-N
XLogP3.03
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634573) is 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(OC)cc3[C@H]3COCCO3)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is VIQHCJXSRJLTPZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-25-24(30)18-11-26-22(28-23(29)13-3-4-13)21-17(18)10-19(27-21)15-6-5-14(31-2)9-16(15)20-12-32-7-8-33-20/h5-6,9-11,13,20,27H,3-4,7-8,12H2,1-2H3,(H,25,30)(H,26,28,29)/t20-/m1/s1.
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).