N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide

C23H26N6O2 — CID 156523274

IUPACN-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide
SMILESCOCC1CCN(Cc2cc3cnc(NC(=O)c4ccc5c(cnn5C)c4)cc3[nH]2)C1
InChIInChI=1S/C23H26N6O2/c1-28-21-4-3-16(7-18(21)11-25-28)23(30)27-22-9-20-17(10-24-22)8-19(26-20)13-29-6-5-15(12-29)14-31-2/h3-4,7-11,15,26H,5-6,12-14H2,1-2H3,(H,24,27,30)
InChIKeyXMZYZUYYFIUQEE-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide

N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide (PubChem CID 156523274) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide
PubChem CID156523274
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide
SMILESCOCC1CCN(Cc2cc3cnc(NC(=O)c4ccc5c(cnn5C)c4)cc3[nH]2)C1
InChIInChI=1S/C23H26N6O2/c1-28-21-4-3-16(7-18(21)11-25-28)23(30)27-22-9-20-17(10-24-22)8-19(26-20)13-29-6-5-15(12-29)14-31-2/h3-4,7-11,15,26H,5-6,12-14H2,1-2H3,(H,24,27,30)
InChIKeyXMZYZUYYFIUQEE-UHFFFAOYSA-N
XLogP3.17
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
CID 156503329
4-carbamimidoyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 167321951
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174
3-methanimidoyl-4-(methylamino)-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 156523325
3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide
CID 156523487
1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
CID 166517471
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide
CID 156503327
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
CID 50973924
1,3-dimethyl-N-[2-[(2R)-1-methylpiperidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
CID 176732937
1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
CID 167321952
4-imidazol-1-yl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 156523294
1,3-dimethyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-benzotriazole-5-carboxamide
CID 176732936

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide?
The IUPAC name of N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide (CID 156523274) is N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide?
The canonical SMILES for N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide is COCC1CCN(Cc2cc3cnc(NC(=O)c4ccc5c(cnn5C)c4)cc3[nH]2)C1.
What is the InChIKey of N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide?
The InChIKey is XMZYZUYYFIUQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28-21-4-3-16(7-18(21)11-25-28)23(30)27-22-9-20-17(10-24-22)8-19(26-20)13-29-6-5-15(12-29)14-31-2/h3-4,7-11,15,26H,5-6,12-14H2,1-2H3,(H,24,27,30).
What are the key properties of N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide?
N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 156523274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).