N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

C19H23N5 — CID 128992092

IUPACN-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CNCc2ccc3cn[nH]c3c2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H23N5/c1-24-8-6-17(19(24)16-3-2-7-20-11-16)12-21-10-14-4-5-15-13-22-23-18(15)9-14/h2-5,7,9,11,13,17,19,21H,6,8,10,12H2,1H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyPVDCJPGFDNVUIO-HKUYNNGSSA-N
MW321.43 g/mol
LogP2.74
Rot. Bonds5

About N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (PubChem CID 128992092) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
PubChem CID128992092
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
SMILESCN1CC[C@@H](CNCc2ccc3cn[nH]c3c2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H23N5/c1-24-8-6-17(19(24)16-3-2-7-20-11-16)12-21-10-14-4-5-15-13-22-23-18(15)9-14/h2-5,7,9,11,13,17,19,21H,6,8,10,12H2,1H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyPVDCJPGFDNVUIO-HKUYNNGSSA-N
XLogP2.74
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (CID 128992092) is N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is CN1CC[C@@H](CNCc2ccc3cn[nH]c3c2)[C@@H]1c1cccnc1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
The InChIKey is PVDCJPGFDNVUIO-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H23N5/c1-24-8-6-17(19(24)16-3-2-7-20-11-16)12-21-10-14-4-5-15-13-22-23-18(15)9-14/h2-5,7,9,11,13,17,19,21H,6,8,10,12H2,1H3,(H,22,23)/t17-,19-/m0/s1.
What are the key properties of N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?
N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine has a molecular weight of 321.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 128992092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).