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

C19H31FN8O — CID 137284621

IUPAC2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCCC1N1CCN(C3CC3)CC1)NCC(F)C2
InChIInChI=1S/C19H31FN8O/c20-12-9-23-18-16(17(21)25-28(18)11-12)19(29)24-14-10-22-4-3-15(14)27-7-5-26(6-8-27)13-1-2-13/h12-15,22-23H,1-11H2,(H2,21,25)(H,24,29)
InChIKeyIQVCUWAWNSYDBF-UHFFFAOYSA-N
MW406.51 g/mol
LogP-0.53
Rot. Bonds4

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

2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137284621) has the molecular formula C19H31FN8O and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137284621
Molecular FormulaC19H31FN8O
Molecular Weight406.51 g/mol
Exact Mass406.26
IUPAC Name2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2c(c1C(=O)NC1CNCCC1N1CCN(C3CC3)CC1)NCC(F)C2
InChIInChI=1S/C19H31FN8O/c20-12-9-23-18-16(17(21)25-28(18)11-12)19(29)24-14-10-22-4-3-15(14)27-7-5-26(6-8-27)13-1-2-13/h12-15,22-23H,1-11H2,(H2,21,25)(H,24,29)
InChIKeyIQVCUWAWNSYDBF-UHFFFAOYSA-N
XLogP-0.53
TPSA103.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137284621) is 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2c(c1C(=O)NC1CNCCC1N1CCN(C3CC3)CC1)NCC(F)C2.
What is the InChIKey of 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IQVCUWAWNSYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN8O/c20-12-9-23-18-16(17(21)25-28(18)11-12)19(29)24-14-10-22-4-3-15(14)27-7-5-26(6-8-27)13-1-2-13/h12-15,22-23H,1-11H2,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of -0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-cyclopropylpiperazin-1-yl)piperidin-3-yl]-6-fluoro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137284621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).