cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol

C23H29N7O2 — CID 170444725

IUPACcis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol
SMILESCCOc1nc2c(cc1Nc1ncc3ccnc(N[C@H]4CC[C@@H](O)C4)c3n1)CN(C)CC2
InChIInChI=1S/C23H29N7O2/c1-3-32-22-19(10-15-13-30(2)9-7-18(15)27-22)28-23-25-12-14-6-8-24-21(20(14)29-23)26-16-4-5-17(31)11-16/h6,8,10,12,16-17,31H,3-5,7,9,11,13H2,1-2H3,(H,24,26)(H,25,28,29)/t16-,17+/m0/s1
InChIKeyZQZVGPFKBFFACN-DLBZAZTESA-N
MW435.53 g/mol
LogP2.88
Rot. Bonds6

About cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol

cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol (PubChem CID 170444725) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol
PubChem CID170444725
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Namecis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol
SMILESCCOc1nc2c(cc1Nc1ncc3ccnc(N[C@H]4CC[C@@H](O)C4)c3n1)CN(C)CC2
InChIInChI=1S/C23H29N7O2/c1-3-32-22-19(10-15-13-30(2)9-7-18(15)27-22)28-23-25-12-14-6-8-24-21(20(14)29-23)26-16-4-5-17(31)11-16/h6,8,10,12,16-17,31H,3-5,7,9,11,13H2,1-2H3,(H,24,26)(H,25,28,29)/t16-,17+/m0/s1
InChIKeyZQZVGPFKBFFACN-DLBZAZTESA-N
XLogP2.88
TPSA108.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol (CID 170444725) is cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol is CCOc1nc2c(cc1Nc1ncc3ccnc(N[C@H]4CC[C@@H](O)C4)c3n1)CN(C)CC2.
What is the InChIKey of cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol?
The InChIKey is ZQZVGPFKBFFACN-DLBZAZTESA-N. The full InChI is InChI=1S/C23H29N7O2/c1-3-32-22-19(10-15-13-30(2)9-7-18(15)27-22)28-23-25-12-14-6-8-24-21(20(14)29-23)26-16-4-5-17(31)11-16/h6,8,10,12,16-17,31H,3-5,7,9,11,13H2,1-2H3,(H,24,26)(H,25,28,29)/t16-,17+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol?
cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol has a molecular weight of 435.53 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-[(2-ethoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 170444725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).