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

C25H33N7O3 — CID 166630811

IUPACN-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C25H33N7O3/c1-17(2)35-22-14-19(31-10-12-34-13-11-31)5-6-21(22)29-25(33)20-16-27-32-9-7-23(30-24(20)32)28-18-4-3-8-26-15-18/h5-7,9,14,16-18,26H,3-4,8,10-13,15H2,1-2H3,(H,28,30)(H,29,33)/t18-/m1/s1
InChIKeyINPSGUFUHICSGX-GOSISDBHSA-N
MW479.59 g/mol
LogP2.77
Rot. Bonds7

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

N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166630811) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166630811
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC NameN-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12
InChIInChI=1S/C25H33N7O3/c1-17(2)35-22-14-19(31-10-12-34-13-11-31)5-6-21(22)29-25(33)20-16-27-32-9-7-23(30-24(20)32)28-18-4-3-8-26-15-18/h5-7,9,14,16-18,26H,3-4,8,10-13,15H2,1-2H3,(H,28,30)(H,29,33)/t18-/m1/s1
InChIKeyINPSGUFUHICSGX-GOSISDBHSA-N
XLogP2.77
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166630811) is N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc(N2CCOCC2)ccc1NC(=O)c1cnn2ccc(N[C@@H]3CCCNC3)nc12.
What is the InChIKey of N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is INPSGUFUHICSGX-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-17(2)35-22-14-19(31-10-12-34-13-11-31)5-6-21(22)29-25(33)20-16-27-32-9-7-23(30-24(20)32)28-18-4-3-8-26-15-18/h5-7,9,14,16-18,26H,3-4,8,10-13,15H2,1-2H3,(H,28,30)(H,29,33)/t18-/m1/s1.
What are the key properties of N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-2-propan-2-yloxyphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166630811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).