6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one

C26H25N5O3 — CID 155538462

IUPAC6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
InChIInChI=1S/C26H25N5O3/c32-24(8-6-16-5-7-22-23(11-16)34-26(33)30-22)31-10-9-21-19(15-31)14-27-25(29-21)28-20-12-17-3-1-2-4-18(17)13-20/h1-5,7,11,14,20H,6,8-10,12-13,15H2,(H,30,33)(H,27,28,29)
InChIKeyRXQRKTRNQXXVJE-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.01
Rot. Bonds5

About 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one

6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one (PubChem CID 155538462) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
PubChem CID155538462
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
SMILESO=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
InChIInChI=1S/C26H25N5O3/c32-24(8-6-16-5-7-22-23(11-16)34-26(33)30-22)31-10-9-21-19(15-31)14-27-25(29-21)28-20-12-17-3-1-2-4-18(17)13-20/h1-5,7,11,14,20H,6,8-10,12-13,15H2,(H,30,33)(H,27,28,29)
InChIKeyRXQRKTRNQXXVJE-UHFFFAOYSA-N
XLogP3.01
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one (CID 155538462) is 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one is O=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1.
What is the InChIKey of 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is RXQRKTRNQXXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c32-24(8-6-16-5-7-22-23(11-16)34-26(33)30-22)31-10-9-21-19(15-31)14-27-25(29-21)28-20-12-17-3-1-2-4-18(17)13-20/h1-5,7,11,14,20H,6,8-10,12-13,15H2,(H,30,33)(H,27,28,29).
What are the key properties of 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one?
6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 455.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 155538462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).