2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H26FN9O2 — CID 90199773

IUPAC2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCC(N3CCC3)CC2)nc1
InChIInChI=1S/C26H26FN9O2/c27-17-13-31-24-22(23(28)33-36(24)15-17)25(37)32-21-14-29-7-4-19(21)16-2-3-20(30-12-16)26(38)35-10-5-18(6-11-35)34-8-1-9-34/h2-4,7,12-15,18H,1,5-6,8-11H2,(H2,28,33)(H,32,37)
InChIKeyVYDHOIYINGHLLI-UHFFFAOYSA-N
MW515.55 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199773) has the molecular formula C26H26FN9O2 and a molecular weight of 515.55 g/mol. Its IUPAC name is 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199773
Molecular FormulaC26H26FN9O2
Molecular Weight515.55 g/mol
Exact Mass515.22
IUPAC Name2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCC(N3CCC3)CC2)nc1
InChIInChI=1S/C26H26FN9O2/c27-17-13-31-24-22(23(28)33-36(24)15-17)25(37)32-21-14-29-7-4-19(21)16-2-3-20(30-12-16)26(38)35-10-5-18(6-11-35)34-8-1-9-34/h2-4,7,12-15,18H,1,5-6,8-11H2,(H2,28,33)(H,32,37)
InChIKeyVYDHOIYINGHLLI-UHFFFAOYSA-N
XLogP2.47
TPSA134.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199773) is 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1-c1ccc(C(=O)N2CCC(N3CCC3)CC2)nc1.
What is the InChIKey of 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VYDHOIYINGHLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN9O2/c27-17-13-31-24-22(23(28)33-36(24)15-17)25(37)32-21-14-29-7-4-19(21)16-2-3-20(30-12-16)26(38)35-10-5-18(6-11-35)34-8-1-9-34/h2-4,7,12-15,18H,1,5-6,8-11H2,(H2,28,33)(H,32,37).
What are the key properties of 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[6-[4-(azetidin-1-yl)piperidine-1-carbonyl]-3-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).