7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide

C22H25N5O3 — CID 126481025

IUPAC7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide
SMILESCN1CCC[C@@H]1COc1cc(-c2cnc3c(c2)CCCO3)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C22H25N5O3/c1-27-6-2-5-15(27)11-30-17-9-16(19-20(26-12-25-19)18(17)21(23)28)14-8-13-4-3-7-29-22(13)24-10-14/h8-10,12,15H,2-7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/m1/s1
InChIKeyDEGIASFEDQNETG-OAHLLOKOSA-N
MW407.47 g/mol
LogP2.52
Rot. Bonds5

About 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide

7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide (PubChem CID 126481025) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide
PubChem CID126481025
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide
SMILESCN1CCC[C@@H]1COc1cc(-c2cnc3c(c2)CCCO3)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C22H25N5O3/c1-27-6-2-5-15(27)11-30-17-9-16(19-20(26-12-25-19)18(17)21(23)28)14-8-13-4-3-7-29-22(13)24-10-14/h8-10,12,15H,2-7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/m1/s1
InChIKeyDEGIASFEDQNETG-OAHLLOKOSA-N
XLogP2.52
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide (CID 126481025) is 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide is CN1CCC[C@@H]1COc1cc(-c2cnc3c(c2)CCCO3)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
The InChIKey is DEGIASFEDQNETG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-27-6-2-5-15(27)11-30-17-9-16(19-20(26-12-25-19)18(17)21(23)28)14-8-13-4-3-7-29-22(13)24-10-14/h8-10,12,15H,2-7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/m1/s1.
What are the key properties of 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide?
7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 126481025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).