N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine

C20H23N7O2S2 — CID 69073731

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(C1CC1)N1C[C@@H]2C[C@H]1CN2c1nc(Nc2cc(C3CC3)[nH]n2)c2sccc2n1
InChIInChI=1S/C20H23N7O2S2/c28-31(29,14-3-4-14)27-10-12-7-13(27)9-26(12)20-21-15-5-6-30-18(15)19(23-20)22-17-8-16(24-25-17)11-1-2-11/h5-6,8,11-14H,1-4,7,9-10H2,(H2,21,22,23,24,25)/t12-,13-/m0/s1
InChIKeySYYGKRZRQAZGQZ-STQMWFEESA-N
MW457.59 g/mol
LogP2.79
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 69073731) has the molecular formula C20H23N7O2S2 and a molecular weight of 457.59 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID69073731
Molecular FormulaC20H23N7O2S2
Molecular Weight457.59 g/mol
Exact Mass457.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESO=S(=O)(C1CC1)N1C[C@@H]2C[C@H]1CN2c1nc(Nc2cc(C3CC3)[nH]n2)c2sccc2n1
InChIInChI=1S/C20H23N7O2S2/c28-31(29,14-3-4-14)27-10-12-7-13(27)9-26(12)20-21-15-5-6-30-18(15)19(23-20)22-17-8-16(24-25-17)11-1-2-11/h5-6,8,11-14H,1-4,7,9-10H2,(H2,21,22,23,24,25)/t12-,13-/m0/s1
InChIKeySYYGKRZRQAZGQZ-STQMWFEESA-N
XLogP2.79
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.59
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

CID 49830886
CID 49830886
2-(4-Aminopiperidin-1-Yl)-N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)thieno[3,2-D]pyrimidin-4-Amine
CID 91809512
2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 15953852
2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178544
2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178545
2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178546
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178547
2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178548
2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178549
N-(3-fluorophenyl)-5-oxo-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 70804596
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
CID 170982342
N-(5-cyclopropyl-1H-pyrazol-3-yl)-8-fluoro-2-[(3S)-3-methylsulfonylpyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 170982428

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine (CID 69073731) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine is O=S(=O)(C1CC1)N1C[C@@H]2C[C@H]1CN2c1nc(Nc2cc(C3CC3)[nH]n2)c2sccc2n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SYYGKRZRQAZGQZ-STQMWFEESA-N. The full InChI is InChI=1S/C20H23N7O2S2/c28-31(29,14-3-4-14)27-10-12-7-13(27)9-26(12)20-21-15-5-6-30-18(15)19(23-20)22-17-8-16(24-25-17)11-1-2-11/h5-6,8,11-14H,1-4,7,9-10H2,(H2,21,22,23,24,25)/t12-,13-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 457.59 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-cyclopropylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 69073731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).