N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

C19H22N6O2 — CID 158925724

IUPACN-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12
InChIInChI=1S/C19H22N6O2/c1-3-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-7-4-8-15-12(13)6-5-9-27-15/h4,7-8,10-11,20H,3,5-6,9H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyKEOUBQRYXVLNMZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.19
Rot. Bonds5

About N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide

N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (PubChem CID 158925724) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
PubChem CID158925724
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12
InChIInChI=1S/C19H22N6O2/c1-3-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-7-4-8-15-12(13)6-5-9-27-15/h4,7-8,10-11,20H,3,5-6,9H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyKEOUBQRYXVLNMZ-UHFFFAOYSA-N
XLogP3.19
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide (CID 158925724) is N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12.
What is the InChIKey of N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
The InChIKey is KEOUBQRYXVLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-7-4-8-15-12(13)6-5-9-27-15/h4,7-8,10-11,20H,3,5-6,9H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide?
N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide has a molecular weight of 366.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 158925724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).