N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine

C22H22ClFN6O — CID 166539416

IUPACN-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(OCC2CC2)c1Cl
InChIInChI=1S/C22H22ClFN6O/c23-18-16(31-9-13-1-2-13)5-3-14(19(18)24)28-21-20-15(25-12-26-21)4-6-17(29-20)30-10-22(11-30)7-8-27-22/h3-6,12-13,27H,1-2,7-11H2,(H,25,26,28)
InChIKeyBQKWBDSSTQUJHJ-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.90
Rot. Bonds6

About N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine

N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166539416) has the molecular formula C22H22ClFN6O and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166539416
Molecular FormulaC22H22ClFN6O
Molecular Weight440.91 g/mol
Exact Mass440.15
IUPAC NameN-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(OCC2CC2)c1Cl
InChIInChI=1S/C22H22ClFN6O/c23-18-16(31-9-13-1-2-13)5-3-14(19(18)24)28-21-20-15(25-12-26-21)4-6-17(29-20)30-10-22(11-30)7-8-27-22/h3-6,12-13,27H,1-2,7-11H2,(H,25,26,28)
InChIKeyBQKWBDSSTQUJHJ-UHFFFAOYSA-N
XLogP3.90
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538761
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-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538759
6-chloro-N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540318
6-chloro-N-[3-chloro-2-fluoro-4-(oxolan-3-ylmethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539594
1-[(3S)-3-[4-[3-chloro-4-(cyclopropylmethoxy)-2-fluoroanilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532206
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-[(3S)-3-[4-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
CID 156532211
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166539971

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 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) is N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-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-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine is Fc1c(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)ccc(OCC2CC2)c1Cl.
What is the InChIKey of N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BQKWBDSSTQUJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN6O/c23-18-16(31-9-13-1-2-13)5-3-14(19(18)24)28-21-20-15(25-12-26-21)4-6-17(29-20)30-10-22(11-30)7-8-27-22/h3-6,12-13,27H,1-2,7-11H2,(H,25,26,28).
What are the key properties of N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine?
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 440.91 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166539416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).