5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23F2N7O2 — CID 170021425

IUPAC5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCOC(CC5CC5)C4)nc23)c(C(F)F)n1
InChIInChI=1S/C20H23F2N7O2/c1-27-11-15(17(26-27)18(21)22)24-20(30)14-9-23-29-5-4-16(25-19(14)29)28-6-7-31-13(10-28)8-12-2-3-12/h4-5,9,11-13,18H,2-3,6-8,10H2,1H3,(H,24,30)
InChIKeyWHTNNLGQXOLYIN-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.66
Rot. Bonds6

About 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170021425) has the molecular formula C20H23F2N7O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID170021425
Molecular FormulaC20H23F2N7O2
Molecular Weight431.45 g/mol
Exact Mass431.19
IUPAC Name5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCOC(CC5CC5)C4)nc23)c(C(F)F)n1
InChIInChI=1S/C20H23F2N7O2/c1-27-11-15(17(26-27)18(21)22)24-20(30)14-9-23-29-5-4-16(25-19(14)29)28-6-7-31-13(10-28)8-12-2-3-12/h4-5,9,11-13,18H,2-3,6-8,10H2,1H3,(H,24,30)
InChIKeyWHTNNLGQXOLYIN-UHFFFAOYSA-N
XLogP2.66
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170021425) is 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N4CCOC(CC5CC5)C4)nc23)c(C(F)F)n1.
What is the InChIKey of 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WHTNNLGQXOLYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O2/c1-27-11-15(17(26-27)18(21)22)24-20(30)14-9-23-29-5-4-16(25-19(14)29)28-6-7-31-13(10-28)8-12-2-3-12/h4-5,9,11-13,18H,2-3,6-8,10H2,1H3,(H,24,30).
What are the key properties of 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)morpholin-4-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170021425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).