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

C22H27N7O2 — CID 166635190

IUPACN-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C22H27N7O2/c30-22(26-16-3-5-18(6-4-16)28-10-12-31-13-11-28)19-15-24-29-9-7-20(27-21(19)29)25-17-2-1-8-23-14-17/h3-7,9,15,17,23H,1-2,8,10-14H2,(H,25,27)(H,26,30)/t17-/m1/s1
InChIKeyCGOHFUYEJBQHIS-QGZVFWFLSA-N
MW421.51 g/mol
LogP1.98
Rot. Bonds5

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

N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166635190) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166635190
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C22H27N7O2/c30-22(26-16-3-5-18(6-4-16)28-10-12-31-13-11-28)19-15-24-29-9-7-20(27-21(19)29)25-17-2-1-8-23-14-17/h3-7,9,15,17,23H,1-2,8,10-14H2,(H,25,27)(H,26,30)/t17-/m1/s1
InChIKeyCGOHFUYEJBQHIS-QGZVFWFLSA-N
XLogP1.98
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo[1(2H),2'-bipyridin]-3-yl)amino]-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441492
Gartisertib
CID 86720912
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
GSK-3|A inhibitor 13
CID 134551592
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449296
Pyrazolo pyrimidine, 7
CID 44232914
1-methyl-3-(4-(4-morpholino-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44232918
Pyrazolo pyrimidine, 14
CID 44233161
Pyrazolo pyrimidine, 15
CID 44233162
Pyrazolo pyrimidine, 16
CID 44233163
Pyrazolo pyrimidine, 17
CID 44233164

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166635190) is N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CGOHFUYEJBQHIS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N7O2/c30-22(26-16-3-5-18(6-4-16)28-10-12-31-13-11-28)19-15-24-29-9-7-20(27-21(19)29)25-17-2-1-8-23-14-17/h3-7,9,15,17,23H,1-2,8,10-14H2,(H,25,27)(H,26,30)/t17-/m1/s1.
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166635190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).