2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20F3N7O2 — CID 86302753

IUPAC2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H]1COc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C19H20F3N7O2/c1-28-7-2-3-11(28)10-31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,23,27)(H,25,30)/t11-/m1/s1
InChIKeyVNSJBKSHNDLTDC-LLVKDONJSA-N
MW435.41 g/mol
LogP2.45
Rot. Bonds5

About 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86302753) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86302753
Molecular FormulaC19H20F3N7O2
Molecular Weight435.41 g/mol
Exact Mass435.16
IUPAC Name2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H]1COc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C19H20F3N7O2/c1-28-7-2-3-11(28)10-31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,23,27)(H,25,30)/t11-/m1/s1
InChIKeyVNSJBKSHNDLTDC-LLVKDONJSA-N
XLogP2.45
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86302753) is 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC[C@@H]1COc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.
What is the InChIKey of 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VNSJBKSHNDLTDC-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c1-28-7-2-3-11(28)10-31-13-4-6-24-9-12(13)25-18(30)15-16(23)27-29-8-5-14(19(20,21)22)26-17(15)29/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,23,27)(H,25,30)/t11-/m1/s1.
What are the key properties of 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86302753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).