5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine

C16H21FN6 — CID 133429304

IUPAC5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
SMILESNC1CC(C2CCN(c3ncnc4ccc(F)cc34)CC2)NN1
InChIInChI=1S/C16H21FN6/c17-11-1-2-13-12(7-11)16(20-9-19-13)23-5-3-10(4-6-23)14-8-15(18)22-21-14/h1-2,7,9-10,14-15,21-22H,3-6,8,18H2
InChIKeyBJTBGRVVKLVFRK-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.14
Rot. Bonds2

About 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine

5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine (PubChem CID 133429304) has the molecular formula C16H21FN6 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine.

Molecular Properties

Compound Name5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
PubChem CID133429304
Molecular FormulaC16H21FN6
Molecular Weight316.38 g/mol
Exact Mass316.18
IUPAC Name5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine
SMILESNC1CC(C2CCN(c3ncnc4ccc(F)cc34)CC2)NN1
InChIInChI=1S/C16H21FN6/c17-11-1-2-13-12(7-11)16(20-9-19-13)23-5-3-10(4-6-23)14-8-15(18)22-21-14/h1-2,7,9-10,14-15,21-22H,3-6,8,18H2
InChIKeyBJTBGRVVKLVFRK-UHFFFAOYSA-N
XLogP1.14
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422015
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
CID 133331936
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
4-chloro-N-(cyclopropylmethyl)-N-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]aniline
CID 123784817
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141
3-[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383491

Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine?
The IUPAC name of 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine (CID 133429304) is 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine.
What is the SMILES notation for 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine?
The canonical SMILES for 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine is NC1CC(C2CCN(c3ncnc4ccc(F)cc34)CC2)NN1.
What is the InChIKey of 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine?
The InChIKey is BJTBGRVVKLVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6/c17-11-1-2-13-12(7-11)16(20-9-19-13)23-5-3-10(4-6-23)14-8-15(18)22-21-14/h1-2,7,9-10,14-15,21-22H,3-6,8,18H2.
What are the key properties of 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine?
5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine has a molecular weight of 316.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrazolidin-3-amine is sourced from PubChem (CID 133429304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).