N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine

C24H26N6O2 — CID 170245203

IUPACN-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
SMILESCOc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
InChIInChI=1S/C24H26N6O2/c1-15(2)30-7-6-16-4-5-17-9-26-23(28-21(17)22(16)30)27-20-8-19(31-3)18(10-25-20)29-11-24(12-29)13-32-14-24/h4-10,15H,11-14H2,1-3H3,(H,25,26,27,28)
InChIKeyRNGNSWRZWVLJRM-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.15
Rot. Bonds5

About N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine

N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine (PubChem CID 170245203) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine.

Molecular Properties

Compound NameN-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
PubChem CID170245203
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
SMILESCOc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1
InChIInChI=1S/C24H26N6O2/c1-15(2)30-7-6-16-4-5-17-9-26-23(28-21(17)22(16)30)27-20-8-19(31-3)18(10-25-20)29-11-24(12-29)13-32-14-24/h4-10,15H,11-14H2,1-3H3,(H,25,26,27,28)
InChIKeyRNGNSWRZWVLJRM-UHFFFAOYSA-N
XLogP4.15
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-ethoxy-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 170245210
N-[5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-4-methoxy-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 170245222
N-(4-methyl-5-piperazin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine
CID 167605316
N-(5-piperidin-1-yl-2-pyridinyl)-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
CID 146359752
N-[2-[[5-chloro-2-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 155755270
9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine
CID 167655081
N-(2-fluoro-4-morpholin-4-ylphenyl)-1-propan-2-ylpyrazolo[4,5-h]quinazolin-8-amine
CID 167570805
1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
CID 170739913
5,6-dimethoxy-1-propan-2-ylindole
CID 134890484
1-cyclopropyl-N-[5-(4-ethylpiperazin-1-yl)-4-methyl-2-pyridinyl]pyrazolo[4,5-h]quinazolin-8-amine
CID 164754275
5-fluoro-7-[5-fluoro-2-(3-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one
CID 166120867
8-cyclopentyl-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144890254

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The IUPAC name of N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine (CID 170245203) is N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine.
What is the SMILES notation for N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The canonical SMILES for N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine is COc1cc(Nc2ncc3ccc4ccn(C(C)C)c4c3n2)ncc1N1CC2(COC2)C1.
What is the InChIKey of N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
The InChIKey is RNGNSWRZWVLJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15(2)30-7-6-16-4-5-17-9-26-23(28-21(17)22(16)30)27-20-8-19(31-3)18(10-25-20)29-11-24(12-29)13-32-14-24/h4-10,15H,11-14H2,1-3H3,(H,25,26,27,28).
What are the key properties of N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine?
N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine has a molecular weight of 430.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine is sourced from PubChem (CID 170245203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).