6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C22H24FN5O3 — CID 22560198

IUPAC6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(c3cccnc3CN)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C22H24FN5O3/c1-31-20-18(27-8-6-13(10-27)14-3-2-7-25-16(14)9-24)15(23)11-28-19(20)17(12-4-5-12)21(29)26-22(28)30/h2-3,7,11-13H,4-6,8-10,24H2,1H3,(H,26,29,30)
InChIKeyNEINTQHCBGONHH-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.86
Rot. Bonds5

About 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560198) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560198
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CCC(c3cccnc3CN)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C22H24FN5O3/c1-31-20-18(27-8-6-13(10-27)14-3-2-7-25-16(14)9-24)15(23)11-28-19(20)17(12-4-5-12)21(29)26-22(28)30/h2-3,7,11-13H,4-6,8-10,24H2,1H3,(H,26,29,30)
InChIKeyNEINTQHCBGONHH-UHFFFAOYSA-N
XLogP1.86
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560198) is 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CCC(c3cccnc3CN)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is NEINTQHCBGONHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-31-20-18(27-8-6-13(10-27)14-3-2-7-25-16(14)9-24)15(23)11-28-19(20)17(12-4-5-12)21(29)26-22(28)30/h2-3,7,11-13H,4-6,8-10,24H2,1H3,(H,26,29,30).
What are the key properties of 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 425.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(aminomethyl)-3-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).