2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H31FN8O2 — CID 137284491

IUPAC2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCCC1N1CCN(C3COC3)CC1)NCC(F)C2
InChIInChI=1S/C19H31FN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h12-15,22-23H,1-11H2,(H2,21,25)(H,24,29)
InChIKeyQKDJRCWYOKABJZ-UHFFFAOYSA-N
MW422.51 g/mol
LogP-1.29
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284491) has the molecular formula C19H31FN8O2 and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284491
Molecular FormulaC19H31FN8O2
Molecular Weight422.51 g/mol
Exact Mass422.26
IUPAC Name2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCCC1N1CCN(C3COC3)CC1)NCC(F)C2
InChIInChI=1S/C19H31FN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h12-15,22-23H,1-11H2,(H2,21,25)(H,24,29)
InChIKeyQKDJRCWYOKABJZ-UHFFFAOYSA-N
XLogP-1.29
TPSA112.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284491) is 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2c(c1C(=O)NC1CNCCC1N1CCN(C3COC3)CC1)NCC(F)C2.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QKDJRCWYOKABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN8O2/c20-12-7-23-18-16(17(21)25-28(18)9-12)19(29)24-14-8-22-2-1-15(14)27-5-3-26(4-6-27)13-10-30-11-13/h12-15,22-23H,1-11H2,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of -1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).