ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine

C30H35N5O2 — CID 157036622

IUPACethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine
SMILESC=O.CC.CN.Cc1ccc(-c2cnn3cc(-c4ccc(C5(N)COC5)cc4)cnc23)c2ccccc12
InChIInChI=1S/C26H22N4O.C2H6.CH5N.CH2O/c1-17-6-11-23(22-5-3-2-4-21(17)22)24-13-29-30-14-19(12-28-25(24)30)18-7-9-20(10-8-18)26(27)15-31-16-26;3*1-2/h2-14H,15-16,27H2,1H3;1-2H3;2H2,1H3;1H2
InChIKeyUKLCAVHFVSLPAN-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.13
Rot. Bonds3

About ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine

ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine (PubChem CID 157036622) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine.

Molecular Properties

Compound Nameethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine
PubChem CID157036622
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Nameethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine
SMILESC=O.CC.CN.Cc1ccc(-c2cnn3cc(-c4ccc(C5(N)COC5)cc4)cnc23)c2ccccc12
InChIInChI=1S/C26H22N4O.C2H6.CH5N.CH2O/c1-17-6-11-23(22-5-3-2-4-21(17)22)24-13-29-30-14-19(12-28-25(24)30)18-7-9-20(10-8-18)26(27)15-31-16-26;3*1-2/h2-14H,15-16,27H2,1H3;1-2H3;2H2,1H3;1H2
InChIKeyUKLCAVHFVSLPAN-UHFFFAOYSA-N
XLogP5.13
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-(3-aminooxetan-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
CID 118664815
S-[4-[6-[4-(3-aminoazetidin-3-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]thiohydroxylamine
CID 163291474
N,N-dimethyl-2-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethanamine
CID 145001857
6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166386487
CID 140797496
CID 140797496
4-[6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
CID 130214308
6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
CID 166824971
4-[6-[4-[3-(piperidin-1-ylmethyl)oxetan-3-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfinate
CID 130214312
CID 162309407
CID 162309407
2-[4-[3-[4-(amino-methylidene-oxo-λ6-sulfanyl)naphthalen-1-yl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-N,N-dimethylethanamine
CID 167685880
4-[6-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 130214229
3-(4-phenylphenyl)oxetan-3-amine
CID 116872637

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine?
The IUPAC name of ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine (CID 157036622) is ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine.
What is the SMILES notation for ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine?
The canonical SMILES for ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine is C=O.CC.CN.Cc1ccc(-c2cnn3cc(-c4ccc(C5(N)COC5)cc4)cnc23)c2ccccc12.
What is the InChIKey of ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine?
The InChIKey is UKLCAVHFVSLPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O.C2H6.CH5N.CH2O/c1-17-6-11-23(22-5-3-2-4-21(17)22)24-13-29-30-14-19(12-28-25(24)30)18-7-9-20(10-8-18)26(27)15-31-16-26;3*1-2/h2-14H,15-16,27H2,1H3;1-2H3;2H2,1H3;1H2.
What are the key properties of ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine?
ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine has a molecular weight of 497.64 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine is sourced from PubChem (CID 157036622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).