N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H31N7O3 — CID 166632148

IUPACN-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C24H31N7O3/c1-2-34-21-14-18(30-10-12-33-13-11-30)5-6-20(21)28-24(32)19-16-26-31-9-7-22(29-23(19)31)27-17-4-3-8-25-15-17/h5-7,9,14,16-17,25H,2-4,8,10-13,15H2,1H3,(H,27,29)(H,28,32)/t17-/m1/s1
InChIKeyFKFMPBPMIIRXQQ-QGZVFWFLSA-N
MW465.56 g/mol
LogP2.38
Rot. Bonds7

About N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166632148) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166632148
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC NameN-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C24H31N7O3/c1-2-34-21-14-18(30-10-12-33-13-11-30)5-6-20(21)28-24(32)19-16-26-31-9-7-22(29-23(19)31)27-17-4-3-8-25-15-17/h5-7,9,14,16-17,25H,2-4,8,10-13,15H2,1H3,(H,27,29)(H,28,32)/t17-/m1/s1
InChIKeyFKFMPBPMIIRXQQ-QGZVFWFLSA-N
XLogP2.38
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166632148) is N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FKFMPBPMIIRXQQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-2-34-21-14-18(30-10-12-33-13-11-30)5-6-20(21)28-24(32)19-16-26-31-9-7-22(29-23(19)31)27-17-4-3-8-25-15-17/h5-7,9,14,16-17,25H,2-4,8,10-13,15H2,1H3,(H,27,29)(H,28,32)/t17-/m1/s1.
What are the key properties of N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166632148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).