tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate

C22H24N8O3 — CID 141397022

IUPACtert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nn2cccnc2c1C(=O)NC1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C22H24N8O3/c1-22(2,3)33-21(32)27-18-17(19-24-8-4-9-30(19)28-18)20(31)26-15-7-10-29(13-15)16-6-5-14(11-23)12-25-16/h4-6,8-9,12,15H,7,10,13H2,1-3H3,(H,26,31)(H,27,28,32)
InChIKeyCWONGKNJUHKSOE-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.35
Rot. Bonds4

About tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate

tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate (PubChem CID 141397022) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate
PubChem CID141397022
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Nametert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nn2cccnc2c1C(=O)NC1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C22H24N8O3/c1-22(2,3)33-21(32)27-18-17(19-24-8-4-9-30(19)28-18)20(31)26-15-7-10-29(13-15)16-6-5-14(11-23)12-25-16/h4-6,8-9,12,15H,7,10,13H2,1-3H3,(H,26,31)(H,27,28,32)
InChIKeyCWONGKNJUHKSOE-UHFFFAOYSA-N
XLogP2.35
TPSA137.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
tert-butyl N-[(3R)-1-[5-[6-[(4-cyano-2-pyridinyl)amino]-4-cyclopropyl-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 86694863
tert-butyl N-(3-iodopyrazolo[1,5-a]pyrimidin-2-yl)carbamate
CID 118686645
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl (3S)-4-(5-cyano-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate
CID 167217529
tert-butyl N-[5-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3-sulfanylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate
CID 58972277

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate (CID 141397022) is tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nn2cccnc2c1C(=O)NC1CCN(c2ccc(C#N)cn2)C1.
What is the InChIKey of tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate?
The InChIKey is CWONGKNJUHKSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-22(2,3)33-21(32)27-18-17(19-24-8-4-9-30(19)28-18)20(31)26-15-7-10-29(13-15)16-6-5-14(11-23)12-25-16/h4-6,8-9,12,15H,7,10,13H2,1-3H3,(H,26,31)(H,27,28,32).
What are the key properties of tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate?
tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate has a molecular weight of 448.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-2-yl]carbamate is sourced from PubChem (CID 141397022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).