6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione

C23H27N7O2 — CID 70305848

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC[C@@H](N)C2)cc2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C
InChIInChI=1S/C23H27N7O2/c1-3-29-20(28-11-5-6-15(24)13-28)12-19-21(29)22(31)30(23(32)27(19)2)14-16-8-9-17-18(26-16)7-4-10-25-17/h4,7-10,12,15H,3,5-6,11,13-14,24H2,1-2H3/t15-/m1/s1
InChIKeyWDUIKJNNETWZQT-OAHLLOKOSA-N
MW433.52 g/mol
LogP1.44
Rot. Bonds4

About 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione

6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 70305848) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID70305848
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC[C@@H](N)C2)cc2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C
InChIInChI=1S/C23H27N7O2/c1-3-29-20(28-11-5-6-15(24)13-28)12-19-21(29)22(31)30(23(32)27(19)2)14-16-8-9-17-18(26-16)7-4-10-25-17/h4,7-10,12,15H,3,5-6,11,13-14,24H2,1-2H3/t15-/m1/s1
InChIKeyWDUIKJNNETWZQT-OAHLLOKOSA-N
XLogP1.44
TPSA103.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 70305848) is 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione is CCn1c(N2CCC[C@@H](N)C2)cc2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is WDUIKJNNETWZQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-3-29-20(28-11-5-6-15(24)13-28)12-19-21(29)22(31)30(23(32)27(19)2)14-16-8-9-17-18(26-16)7-4-10-25-17/h4,7-10,12,15H,3,5-6,11,13-14,24H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 433.52 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-methyl-3-(1,5-naphthyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 70305848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).