N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C25H30FN5O2 — CID 176761484

IUPACN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)C1CCCN1C(=O)C1CC(Cc2ccc(F)cc2)CN1
InChIInChI=1S/C25H30FN5O2/c26-17-5-3-15(4-6-17)12-16-13-21(28-14-16)25(33)31-11-1-2-22(31)24(32)30-20-9-8-19-18(20)7-10-23(27)29-19/h3-7,10,16,20-22,28H,1-2,8-9,11-14H2,(H2,27,29)(H,30,32)
InChIKeyVLEAHZYMMWWRDX-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.12
Rot. Bonds5

About N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 176761484) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID176761484
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)C1CCCN1C(=O)C1CC(Cc2ccc(F)cc2)CN1
InChIInChI=1S/C25H30FN5O2/c26-17-5-3-15(4-6-17)12-16-13-21(28-14-16)25(33)31-11-1-2-22(31)24(32)30-20-9-8-19-18(20)7-10-23(27)29-19/h3-7,10,16,20-22,28H,1-2,8-9,11-14H2,(H2,27,29)(H,30,32)
InChIKeyVLEAHZYMMWWRDX-UHFFFAOYSA-N
XLogP2.12
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 176761484) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)C1CCCN1C(=O)C1CC(Cc2ccc(F)cc2)CN1.
What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is VLEAHZYMMWWRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c26-17-5-3-15(4-6-17)12-16-13-21(28-14-16)25(33)31-11-1-2-22(31)24(32)30-20-9-8-19-18(20)7-10-23(27)29-19/h3-7,10,16,20-22,28H,1-2,8-9,11-14H2,(H2,27,29)(H,30,32).
What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[4-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 176761484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).