N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine

C23H24ClFN6O2 — CID 166539446

IUPACN-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(OC[C@H]2CCCO2)c1Cl
InChIInChI=1S/C23H24ClFN6O2/c24-19-17(33-10-14-2-1-9-32-14)5-3-15(20(19)25)29-22-21-16(26-13-27-22)4-6-18(30-21)31-11-23(12-31)7-8-28-23/h3-6,13-14,28H,1-2,7-12H2,(H,26,27,29)/t14-/m1/s1
InChIKeyDSOWIGMFKBNFAC-CQSZACIVSA-N
MW470.94 g/mol
LogP3.67
Rot. Bonds6

About N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine

N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166539446) has the molecular formula C23H24ClFN6O2 and a molecular weight of 470.94 g/mol. Its IUPAC name is N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166539446
Molecular FormulaC23H24ClFN6O2
Molecular Weight470.94 g/mol
Exact Mass470.16
IUPAC NameN-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(OC[C@H]2CCCO2)c1Cl
InChIInChI=1S/C23H24ClFN6O2/c24-19-17(33-10-14-2-1-9-32-14)5-3-15(20(19)25)29-22-21-16(26-13-27-22)4-6-18(30-21)31-11-23(12-31)7-8-28-23/h3-6,13-14,28H,1-2,7-12H2,(H,26,27,29)/t14-/m1/s1
InChIKeyDSOWIGMFKBNFAC-CQSZACIVSA-N
XLogP3.67
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539416
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538761
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538759
tert-butyl (3S)-3-[4-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]anilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidine-1-carboxylate
CID 166538203
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-[(4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 175832595
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540318
N-[3-chloro-4-(difluoromethoxy)-2-fluorophenyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 166540243
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166544037
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166540103
1-[(1S,4S)-5-[4-[3-chloro-2-fluoro-4-[(1-fluorocyclopropyl)methoxy]anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-diazabicyclo[2.2.2]octan-2-yl]prop-2-en-1-one
CID 166539466
1-[(3S)-3-[4-[2,3-difluoro-4-[[(2S)-oxolan-2-yl]methoxy]anilino]-7-fluoropyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 166538474

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 166539446) is N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine is Fc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(OC[C@H]2CCCO2)c1Cl.
What is the InChIKey of N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DSOWIGMFKBNFAC-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24ClFN6O2/c24-19-17(33-10-14-2-1-9-32-14)5-3-15(20(19)25)29-22-21-16(26-13-27-22)4-6-18(30-21)31-11-23(12-31)7-8-28-23/h3-6,13-14,28H,1-2,7-12H2,(H,26,27,29)/t14-/m1/s1.
What are the key properties of N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 470.94 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166539446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).