6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol

C22H28N4O2 — CID 154870727

IUPAC6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol
SMILESOC1CC2(C1)CC(Nc1cc(NC3CC4(CC(O)C4)C3)c3ccncc3n1)C2
InChIInChI=1S/C22H28N4O2/c27-15-8-21(9-15)4-13(5-21)24-18-3-20(26-19-12-23-2-1-17(18)19)25-14-6-22(7-14)10-16(28)11-22/h1-3,12-16,27-28H,4-11H2,(H2,24,25,26)
InChIKeyYBZSDAAMUMZKHI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.06
Rot. Bonds4

About 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol

6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol (PubChem CID 154870727) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol.

Molecular Properties

Compound Name6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol
PubChem CID154870727
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol
SMILESOC1CC2(C1)CC(Nc1cc(NC3CC4(CC(O)C4)C3)c3ccncc3n1)C2
InChIInChI=1S/C22H28N4O2/c27-15-8-21(9-15)4-13(5-21)24-18-3-20(26-19-12-23-2-1-17(18)19)25-14-6-22(7-14)10-16(28)11-22/h1-3,12-16,27-28H,4-11H2,(H2,24,25,26)
InChIKeyYBZSDAAMUMZKHI-UHFFFAOYSA-N
XLogP3.06
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol with MolForge

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Related Compounds

N-cyclopentyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
CID 135368333
6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
CID 163265443
N,2-dimethyl-1,7-naphthyridin-4-amine;ethane
CID 142126179
3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine
CID 130719191
sodium 5-(cyclopropylamino)benzo[h]isoquinoline-8-carboxylate
CID 137464031
N-cyclohexyl-4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide;ethane
CID 142615931
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
CID 171763533
3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 104777207
4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide
CID 170090401
8-N-(3-methylcyclobutyl)isoquinoline-5,8-diamine
CID 103139155
N-(thian-4-yl)isoquinolin-5-amine
CID 43681409

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol?
The IUPAC name of 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol (CID 154870727) is 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol.
What is the SMILES notation for 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol?
The canonical SMILES for 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol is OC1CC2(C1)CC(Nc1cc(NC3CC4(CC(O)C4)C3)c3ccncc3n1)C2.
What is the InChIKey of 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol?
The InChIKey is YBZSDAAMUMZKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-15-8-21(9-15)4-13(5-21)24-18-3-20(26-19-12-23-2-1-17(18)19)25-14-6-22(7-14)10-16(28)11-22/h1-3,12-16,27-28H,4-11H2,(H2,24,25,26).
What are the key properties of 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol?
6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol has a molecular weight of 380.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]-1,7-naphthyridin-4-yl]amino]spiro[3.3]heptan-2-ol is sourced from PubChem (CID 154870727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).