N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H22N6O2 — CID 163409038

IUPACN-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C19H22N6O2/c1-27-16-7-3-2-6-15(16)23-19(26)14-12-21-25-10-8-17(24-18(14)25)22-13-5-4-9-20-11-13/h2-3,6-8,10,12-13,20H,4-5,9,11H2,1H3,(H,22,24)(H,23,26)/t13-/m1/s1
InChIKeyUDIOCBZOGRLYJE-CYBMUJFWSA-N
MW366.43 g/mol
LogP2.15
Rot. Bonds5

About N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163409038) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163409038
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C19H22N6O2/c1-27-16-7-3-2-6-15(16)23-19(26)14-12-21-25-10-8-17(24-18(14)25)22-13-5-4-9-20-11-13/h2-3,6-8,10,12-13,20H,4-5,9,11H2,1H3,(H,22,24)(H,23,26)/t13-/m1/s1
InChIKeyUDIOCBZOGRLYJE-CYBMUJFWSA-N
XLogP2.15
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163409038) is N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UDIOCBZOGRLYJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-16-7-3-2-6-15(16)23-19(26)14-12-21-25-10-8-17(24-18(14)25)22-13-5-4-9-20-11-13/h2-3,6-8,10,12-13,20H,4-5,9,11H2,1H3,(H,22,24)(H,23,26)/t13-/m1/s1.
What are the key properties of N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163409038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).