1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole

C19H22N4O2 — CID 124727108

IUPAC1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole
SMILESCOc1ccnc(CN2CC[C@H](n3ncc4ccccc43)C2)c1OC
InChIInChI=1S/C19H22N4O2/c1-24-18-7-9-20-16(19(18)25-2)13-22-10-8-15(12-22)23-17-6-4-3-5-14(17)11-21-23/h3-7,9,11,15H,8,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyCOKWDTPRMFLWER-HNNXBMFYSA-N
MW338.41 g/mol
LogP2.90
Rot. Bonds5

About 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole

1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole (PubChem CID 124727108) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole.

Molecular Properties

Compound Name1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole
PubChem CID124727108
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole
SMILESCOc1ccnc(CN2CC[C@H](n3ncc4ccccc43)C2)c1OC
InChIInChI=1S/C19H22N4O2/c1-24-18-7-9-20-16(19(18)25-2)13-22-10-8-15(12-22)23-17-6-4-3-5-14(17)11-21-23/h3-7,9,11,15H,8,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyCOKWDTPRMFLWER-HNNXBMFYSA-N
XLogP2.90
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole?
The IUPAC name of 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole (CID 124727108) is 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole.
What is the SMILES notation for 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole?
The canonical SMILES for 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole is COc1ccnc(CN2CC[C@H](n3ncc4ccccc43)C2)c1OC.
What is the InChIKey of 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole?
The InChIKey is COKWDTPRMFLWER-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-24-18-7-9-20-16(19(18)25-2)13-22-10-8-15(12-22)23-17-6-4-3-5-14(17)11-21-23/h3-7,9,11,15H,8,10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole?
1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole has a molecular weight of 338.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole is sourced from PubChem (CID 124727108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).