N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide

C19H23N5O2S — CID 25010255

IUPACN-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5O2S/c1-27(25,26)23-17-4-2-3-14(9-17)12-24-8-7-18(13-24)21-16-5-6-19-15(10-16)11-20-22-19/h2-6,9-11,18,21,23H,7-8,12-13H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyCPVFJCZYQSPUEE-SFHVURJKSA-N
MW385.49 g/mol
LogP2.62
Rot. Bonds6

About N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide

N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 25010255) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID25010255
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5O2S/c1-27(25,26)23-17-4-2-3-14(9-17)12-24-8-7-18(13-24)21-16-5-6-19-15(10-16)11-20-22-19/h2-6,9-11,18,21,23H,7-8,12-13H2,1H3,(H,20,22)/t18-/m0/s1
InChIKeyCPVFJCZYQSPUEE-SFHVURJKSA-N
XLogP2.62
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide (CID 25010255) is N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is CPVFJCZYQSPUEE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-27(25,26)23-17-4-2-3-14(9-17)12-24-8-7-18(13-24)21-16-5-6-19-15(10-16)11-20-22-19/h2-6,9-11,18,21,23H,7-8,12-13H2,1H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S)-3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 25010255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).