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

C20H22F3N7O2 — CID 86304459

IUPAC2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OCC1CCC(N)CC1
InChIInChI=1S/C20H22F3N7O2/c21-20(22,23)15-6-8-30-18(28-15)16(17(25)29-30)19(31)27-13-9-26-7-5-14(13)32-10-11-1-3-12(24)4-2-11/h5-9,11-12H,1-4,10,24H2,(H2,25,29)(H,27,31)
InChIKeyAXHLQHATJZXVCI-UHFFFAOYSA-N
MW449.44 g/mol
LogP2.87
Rot. Bonds5

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

2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304459) has the molecular formula C20H22F3N7O2 and a molecular weight of 449.44 g/mol. Its IUPAC name is 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304459
Molecular FormulaC20H22F3N7O2
Molecular Weight449.44 g/mol
Exact Mass449.18
IUPAC Name2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OCC1CCC(N)CC1
InChIInChI=1S/C20H22F3N7O2/c21-20(22,23)15-6-8-30-18(28-15)16(17(25)29-30)19(31)27-13-9-26-7-5-14(13)32-10-11-1-3-12(24)4-2-11/h5-9,11-12H,1-4,10,24H2,(H2,25,29)(H,27,31)
InChIKeyAXHLQHATJZXVCI-UHFFFAOYSA-N
XLogP2.87
TPSA133.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304459) is 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OCC1CCC(N)CC1.
What is the InChIKey of 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AXHLQHATJZXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O2/c21-20(22,23)15-6-8-30-18(28-15)16(17(25)29-30)19(31)27-13-9-26-7-5-14(13)32-10-11-1-3-12(24)4-2-11/h5-9,11-12H,1-4,10,24H2,(H2,25,29)(H,27,31).
What are the key properties of 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(4-aminocyclohexyl)methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).