(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C26H24N4O2 — CID 26346196

IUPAC(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C26H24N4O2/c31-26(22-9-4-8-21-20-6-1-2-10-23(20)30-24(21)22)29-14-18-11-16-5-3-7-19(25(16)32-18)17-12-27-15-28-13-17/h1-3,5-7,10,12-13,15,18,22,30H,4,8-9,11,14H2,(H,29,31)/t18-,22-/m1/s1
InChIKeyPRVBRKFBULTYQV-XMSQKQJNSA-N
MW424.50 g/mol
LogP4.16
Rot. Bonds4

About (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 26346196) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID26346196
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C26H24N4O2/c31-26(22-9-4-8-21-20-6-1-2-10-23(20)30-24(21)22)29-14-18-11-16-5-3-7-19(25(16)32-18)17-12-27-15-28-13-17/h1-3,5-7,10,12-13,15,18,22,30H,4,8-9,11,14H2,(H,29,31)/t18-,22-/m1/s1
InChIKeyPRVBRKFBULTYQV-XMSQKQJNSA-N
XLogP4.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 26346196) is (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is O=C(NC[C@H]1Cc2cccc(-c3cncnc3)c2O1)[C@@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is PRVBRKFBULTYQV-XMSQKQJNSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(22-9-4-8-21-20-6-1-2-10-23(20)30-24(21)22)29-14-18-11-16-5-3-7-19(25(16)32-18)17-12-27-15-28-13-17/h1-3,5-7,10,12-13,15,18,22,30H,4,8-9,11,14H2,(H,29,31)/t18-,22-/m1/s1.
What are the key properties of (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
(1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 26346196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).