1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine

C19H21FN4O — CID 149177071

IUPAC1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CC[C@@H](F)C2)c1
InChIInChI=1S/C19H21FN4O/c1-12(2)25-18-8-16-14(9-22-18)10-23-19(16)13-3-5-21-17(7-13)24-6-4-15(20)11-24/h3,5,7-9,12,15H,4,6,10-11H2,1-2H3/t15-/m1/s1
InChIKeyXAEZNPVDKBLFPT-OAHLLOKOSA-N
MW340.40 g/mol
LogP3.16
Rot. Bonds4

About 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine

1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine (PubChem CID 149177071) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
PubChem CID149177071
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CC[C@@H](F)C2)c1
InChIInChI=1S/C19H21FN4O/c1-12(2)25-18-8-16-14(9-22-18)10-23-19(16)13-3-5-21-17(7-13)24-6-4-15(20)11-24/h3,5,7-9,12,15H,4,6,10-11H2,1-2H3/t15-/m1/s1
InChIKeyXAEZNPVDKBLFPT-OAHLLOKOSA-N
XLogP3.16
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Pyridin-2-yl-4-[3-[4-(trifluoromethyl)phenoxy]propyl]piperazine
CID 90644057
1-[3-(4-Fluorophenoxy)propyl]-4-(5-methyl-2-pyridinyl)piperazine
CID 90644061
1-[4-[4-(2-Methylbutan-2-yl)phenoxy]butyl]-4-pyridin-2-ylpiperazine
CID 145956832
1-[4-(4-Tert-butylphenoxy)butyl]-4-pyridin-2-ylpiperazine
CID 145959270
2-[1-(5-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547820
2-[1-(4-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58547869
2-[1-(3-Methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
CID 58548108
5-{2-Fluoro-4-[2-(1-methylethoxy)pyridin-3-yl]phenyl}pyrimidin-2-amine
CID 90312795
5-{2-Fluoro-4-[2-(1-methylethoxy)pyridin-3-yl]phenyl}pyrazin-2-amine
CID 90313555
Cambridge id 5427724
CID 2845963
1-[3-[4-(2-Methylbutan-2-yl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
CID 145960088
N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]piperazin-1-yl]ethanamine
CID 46916628

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine (CID 149177071) is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine is CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CC[C@@H](F)C2)c1.
What is the InChIKey of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The InChIKey is XAEZNPVDKBLFPT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12(2)25-18-8-16-14(9-22-18)10-23-19(16)13-3-5-21-17(7-13)24-6-4-15(20)11-24/h3,5,7-9,12,15H,4,6,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine has a molecular weight of 340.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 149177071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).