4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

C24H22FN7O2 — CID 147555603

IUPAC4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3C[C@H](N)C4(CC4)C3)c12
InChIInChI=1S/C24H22FN7O2/c1-27-16-7-12(25)6-14-19-21(29-20(14)16)30-23(34-13-8-17-15(28-9-13)2-5-33-17)31-22(19)32-10-18(26)24(11-32)3-4-24/h2,5-9,18,27H,3-4,10-11,26H2,1H3,(H,29,30,31)/t18-/m0/s1
InChIKeyFRPNEDHLPTXSGF-SFHVURJKSA-N
MW459.49 g/mol
LogP4.15
Rot. Bonds4

About 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine

4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 147555603) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound Name4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID147555603
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3C[C@H](N)C4(CC4)C3)c12
InChIInChI=1S/C24H22FN7O2/c1-27-16-7-12(25)6-14-19-21(29-20(14)16)30-23(34-13-8-17-15(28-9-13)2-5-33-17)31-22(19)32-10-18(26)24(11-32)3-4-24/h2,5-9,18,27H,3-4,10-11,26H2,1H3,(H,29,30,31)/t18-/m0/s1
InChIKeyFRPNEDHLPTXSGF-SFHVURJKSA-N
XLogP4.15
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 91824142
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 90683889
2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50992289
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)furo[3,2-b]pyridine
CID 177377482
6-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25123721
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25123722
6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25123723
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124049
2-(5-fluoro-1H-indol-4-yl)-6-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124363
6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124364
1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 25124365
6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124367

Frequently Asked Questions

What is the IUPAC name of 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The IUPAC name of 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine (CID 147555603) is 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine.
What is the SMILES notation for 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The canonical SMILES for 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc4ccoc4c3)nc(N3C[C@H](N)C4(CC4)C3)c12.
What is the InChIKey of 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is FRPNEDHLPTXSGF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-27-16-7-12(25)6-14-19-21(29-20(14)16)30-23(34-13-8-17-15(28-9-13)2-5-33-17)31-22(19)32-10-18(26)24(11-32)3-4-24/h2,5-9,18,27H,3-4,10-11,26H2,1H3,(H,29,30,31)/t18-/m0/s1.
What are the key properties of 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine?
4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 459.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 147555603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).