3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H22ClN5O2 — CID 99943078

IUPAC3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)N(C)C[C@H](C)N3CCOCC3)nn2c1
InChIInChI=1S/C16H22ClN5O2/c1-11-8-18-15-13(17)14(19-22(15)9-11)16(23)20(3)10-12(2)21-4-6-24-7-5-21/h8-9,12H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeyOGAYYMVJLUWHON-LBPRGKRZSA-N
MW351.84 g/mol
LogP1.48
Rot. Bonds4

About 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 99943078) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID99943078
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)N(C)C[C@H](C)N3CCOCC3)nn2c1
InChIInChI=1S/C16H22ClN5O2/c1-11-8-18-15-13(17)14(19-22(15)9-11)16(23)20(3)10-12(2)21-4-6-24-7-5-21/h8-9,12H,4-7,10H2,1-3H3/t12-/m0/s1
InChIKeyOGAYYMVJLUWHON-LBPRGKRZSA-N
XLogP1.48
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 99943078) is 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)N(C)C[C@H](C)N3CCOCC3)nn2c1.
What is the InChIKey of 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OGAYYMVJLUWHON-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-11-8-18-15-13(17)14(19-22(15)9-11)16(23)20(3)10-12(2)21-4-6-24-7-5-21/h8-9,12H,4-7,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,6-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 99943078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).